SCHEMBL5165078

SCHEMBL5165078

Nc1nc(-c2cc(-c3ccnnc3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.36
CHUK O15111 1/20 0.36
CDK2 P24941 5/20 0.35
CDK1 P06493 1/20 0.35
ABL1 P00519 3/20 0.34
EGFR P00533 2/20 0.34
SRC P12931 2/20 0.34
ABL2 P42684 2/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK9 P50750 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PRKCI P41743 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR2B P41595 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
SCHEMBL5164962 0.90 IKBKB (0.38) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5164173 0.89 CHEK1 (0.44) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5166222 0.87 IKBKB (0.42) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5165059 0.86 CHEK1 (0.41) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5164258 0.86 IKBKB (0.41) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5165143 0.85 IKBKB (0.36) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5166235 0.85 PRKCI (0.40) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5166332 0.85 IKBKB (0.38) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5167358 0.85 IKBKB (0.37) IKBKBCHUKCDK2CDK1ABL1
SCHEMBL5166227 0.84 IKBKB (0.36) IKBKBCHUKCDK2CDK1ABL1

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 IKBKB 15/4885CHUK 3/4885CDK2 159/4885

“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.