SCHEMBL5164232

SCHEMBL5164232

Nc1nc(-c2cc(-n3cccc3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.42
CDK2 P24941 5/20 0.42
IKBKB O14920 8/20 0.40
CHUK O15111 1/20 0.40
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
CAMK2D Q13557 1/20 0.33
PARP1 P09874 1/20 0.33
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL5163743 0.89 CDK2 (0.40) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5163727 0.88 CDK1 (0.47) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5163742 0.88 CDK2 (0.40) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5166861 0.87 CDK1 (0.47) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5164037 0.87 CDK1 (0.47) CDK1CDK2IKBKBCHUK
SCHEMBL5167012 0.86 IKBKB (0.45) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5166259 0.85 CDK1 (0.45) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5163995 0.85 CDK1 (0.41) CDK1CDK2IKBKBCHUKHTR3E
SCHEMBL5165119 0.85 IKBKB (0.50) IKBKBCHUKHTR3EHTR3BHTR2B
SCHEMBL5167086 0.85 CDK1 (0.41) 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 6 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

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.