SCHEMBL2744653

SCHEMBL2744653

CCc1nc2cccnc2n(C2CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 9/20 0.48
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2C9 P11712 7/20 0.48
CYP2C19 P33261 7/20 0.48
CYP2D6 P10635 4/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 4/20 0.46
TSHR P16473 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
MAPK1 P28482 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PDE4B Q07343 4/20 0.45
PDE4D Q08499 4/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
USP2 O75604 4/20 0.45
LMNA P02545 3/20 0.43

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
SCHEMBL929451 0.80 ALDH1A1 (0.46) POLBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL927345 0.79 PDE4B (0.50) POLBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL928134 0.79 PDE4B (0.47) POLBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL982049 0.79 MAPK1 (0.60) POLBALDH1A1HSD17B10MAPK1LMNA
SCHEMBL928048 0.76 CYP1A2 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL927681 0.75 CYP1A2 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL930083 0.73 CYP1A2 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL927120 0.73 CYP1A2 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL927834 0.73 CYP1A2 (0.67) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15457501 0.73 CYP1A2 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 10 patents. 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-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-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 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

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

For each of this compound's patents that has machine-readable text (2 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 POLB 3876/4885ALDH1A1 3137/4885CYP1A2 363/4885
US-20120122876-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK POLB 3876/4885ALDH1A1 3137/4885CYP1A2 363/4885

“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.