SCHEMBL929077

SCHEMBL929077

O=c1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc2n1CC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.52
TOP1 P11387 3/20 0.42
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 4/20 0.39
CYP2C9 P11712 3/20 0.39
MAPK1 P28482 3/20 0.39
HIF1A Q16665 1/20 0.39
ENPP2 Q13822 1/20 0.39
PDE4B Q07343 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD O00767 1/20 0.37
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL928327 0.88 CYP1A2 (0.50) CYP1A2CYP3A4LMNAALDH1A1USP2
SCHEMBL927333 0.87 CYP1A2 (0.48) CFTRCYP1A2CYP3A4LMNAALDH1A1
SCHEMBL927672 0.86 CYP1A2 (0.50) CYP1A2CYP3A4LMNAALDH1A1USP2
SCHEMBL15457510 0.85 CYP1A2 (0.45) CFTRCYP1A2CYP3A4LMNAALDH1A1
SCHEMBL927678 0.82 CFTR (0.50) CFTRTOP1CYP3A4ALDH1A1KDM4E
SCHEMBL928926 0.81 CYP1A2 (0.56) CFTRCYP1A2CYP3A4ALDH1A1USP2
SCHEMBL3442192 0.78 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1USP2CYP2C9
SCHEMBL927162 0.76 CYP1A2 (0.53) CFTRCYP1A2CYP3A4ALDH1A1USP2
SCHEMBL928200 0.75 CYP1A2 (0.51) CYP1A2CYP3A4LMNAALDH1A1USP2
SCHEMBL927601 0.73 CYP1A2 (0.51) CYP1A2CYP3A4LMNAALDH1A1USP2

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-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-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
EP-2247292-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-10 EP 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
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 CFTR 506/4885TOP1 4683/4885CYP1A2 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 CFTR 506/4885TOP1 4683/4885CYP1A2 363/4885
US-20110009417-A1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES IAPP, GLP1R, PDXK CFTR 406/4885TOP1 4797/4885CYP1A2 395/4885

“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.