SCHEMBL928476

SCHEMBL928476

O=c1c(-c2ccc(F)cc2)nc2cccnc2n1C1CCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.63
ALDH1A1 P00352 11/20 0.63
MAPK1 P28482 5/20 0.63
CYP2C9 P11712 10/20 0.55
TSHR P16473 7/20 0.55
HIF1A Q16665 6/20 0.55
HSD17B10 Q99714 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 4/20 0.55
ALOX15 P16050 3/20 0.55
USP2 O75604 8/20 0.54
CYP3A4 P08684 9/20 0.52
CYP2C19 P33261 5/20 0.52
CASP1 P29466 4/20 0.52
CASP7 P55210 4/20 0.52
GLA P06280 2/20 0.52
CLK4 Q9HAZ1 1/20 0.52
LMNA P02545 1/20 0.49
PDE4B Q07343 2/20 0.46

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
SCHEMBL930083 0.95 CYP1A2 (0.69) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL3441769 0.92 CYP1A2 (0.64) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL928048 0.84 CYP1A2 (0.69) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL927120 0.83 CYP1A2 (0.60) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL927681 0.83 CYP1A2 (0.55) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL927379 0.82 CYP1A2 (0.72) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL927162 0.82 CYP1A2 (0.53) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL15457501 0.82 CYP1A2 (0.53) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL927834 0.80 CYP1A2 (0.67) CYP1A2ALDH1A1MAPK1CYP2C9TSHR
SCHEMBL930164 0.78 PDE5A (0.48) CYP1A2ALDH1A1MAPK1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 CYP1A2 363/4885ALDH1A1 3137/4885MAPK1 109/4885
US-20120122876-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK CYP1A2 363/4885ALDH1A1 3137/4885MAPK1 109/4885
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK CYP1A2 395/4885ALDH1A1 3488/4885MAPK1 201/4885

“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.