SCHEMBL5166259

SCHEMBL5166259

Nc1nc(-c2cc(N3CCNC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.45
CDK2 P24941 13/20 0.45
IKBKB O14920 3/20 0.37
CHUK O15111 1/20 0.37
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL5164037 0.95 CDK1 (0.47) CDK1CDK2IKBKBCHUKSMARCA2
SCHEMBL5163727 0.92 CDK1 (0.47) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5166861 0.91 CDK1 (0.47) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5163995 0.88 CDK1 (0.41) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5166776 0.87 CDK1 (0.43) CDK1CDK2IKBKBCHUK
SCHEMBL5164232 0.85 CDK1 (0.42) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5167086 0.85 CDK1 (0.41) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5167012 0.85 IKBKB (0.45) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5165118 0.83 IKBKB (0.40) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5164982 0.83 IKBKB (0.40) CDK1CDK2IKBKBCHUKHTR3E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
WO-2005035527-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-21 WO claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP 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 (1 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-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK CDK1 242/4885CDK2 159/4885IKBKB 15/4885

“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.