SCHEMBL927205

SCHEMBL927205

O=c1c(-c2ccccc2)nc2cccnc2n1CCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 9/20 0.48
CYP1A2 P05177 8/20 0.48
HSD17B10 Q99714 7/20 0.48
CYP2C9 P11712 6/20 0.46
CYP3A4 P08684 6/20 0.46
CYP2C19 P33261 4/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL928334 0.92 CYP1A2 (0.50) TSHRMAPTALDH1A1CYP1A2HSD17B10
SCHEMBL928132 0.89 CYP1A2 (0.49) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL927902 0.89 CYP1A2 (0.49) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL928111 0.82 PDE4A (0.52) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL927818 0.81 CYP1A2 (0.51) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL927601 0.81 CYP1A2 (0.51) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL928943 0.81 CYP1A2 (0.71) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL927333 0.79 CYP1A2 (0.48) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL928088 0.78 CYP1A2 (0.46) TSHRALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL927318 0.77 CYP1A2 (0.52) TSHRALDH1A1CYP1A2HSD17B10CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642617-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-02-04 US claimed
US-8609689-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-12-17 US claimed
US-20130023537-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
US-20120122876-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES BOTTON GERARD (FR) 2012-05-17 US claimed
US-8178556-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-15 US claimed
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US claimed
EP-2247292-B1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
EP-2247292-B1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
US-8642617-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
US-8642617-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
US-8642617-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
US-8609689-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-12-17 US disclosed
US-20130023537-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8178556-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-15 US disclosed
US-8178556-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-15 US disclosed
US-8178556-B2 Pyridopyrazinones derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-15 US disclosed
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
WO-2009109341-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023537-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK TSHR 47/4885MAPT 4863/4885ALDH1A1 3137/4885
US-20120122876-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK TSHR 47/4885MAPT 4863/4885ALDH1A1 3137/4885
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK TSHR 39/4885MAPT 4857/4885ALDH1A1 3488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.