SCHEMBL5163742

SCHEMBL5163742

Nc1nc(-c2cc(-n3cccn3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CDK1 P06493 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KCNH2 Q12809 3/20 0.40
IKBKB O14920 5/20 0.38
CHUK O15111 1/20 0.38
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
ABL2 P42684 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL5164232 0.88 CDK1 (0.42) CDK2CDK1KCNH2IKBKBCHUK
SCHEMBL5163727 0.85 CDK1 (0.47) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5163743 0.84 CDK2 (0.40) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5164037 0.84 CDK1 (0.47) CDK2CDK1IKBKBCHUKCCNA2
SCHEMBL5166861 0.84 CDK1 (0.47) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5167012 0.83 IKBKB (0.45) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5166259 0.82 CDK1 (0.45) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5163995 0.82 CDK1 (0.41) CDK2CDK1IKBKBCHUKHTR3E
SCHEMBL5165119 0.82 IKBKB (0.50) IKBKBCHUKHTR3EHTR3BHTR2B
SCHEMBL5167086 0.82 CDK1 (0.41) CDK2CDK1IKBKBCHUKHTR3E

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 7 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
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 CDK2 159/4885CDK1 242/4885SMN1; SMN2 4643/4885

“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.