SCHEMBL5163743

SCHEMBL5163743

Nc1nc(-c2cc(-n3ccnc3)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
IKBKB O14920 3/20 0.36
CHUK O15111 1/20 0.36
PGR P06401 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK9 P50750 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
PDE2A O00408 1/20 0.33
CRBN Q96SW2 2/20 0.32
HTR2B P41595 2/20 0.32
TBXAS1 P24557 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CHEK1 O14757 1/20 0.32
HTR3E A5X5Y0 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 0.89 CDK1 (0.42) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5163727 0.85 CDK1 (0.47) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5163742 0.84 CDK2 (0.40) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5164037 0.84 CDK1 (0.47) CDK2CDK1IKBKBCHUK
SCHEMBL5166861 0.84 CDK1 (0.47) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5165902 0.84 IKBKB (0.40) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5167012 0.83 IKBKB (0.45) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5166259 0.82 CDK1 (0.45) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5163995 0.82 CDK1 (0.41) CDK2CDK1IKBKBCHUKHTR2B
SCHEMBL5164962 0.82 IKBKB (0.38) CDK2CDK1IKBKBCHUKHTR2B

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 242/4885IKBKB 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.