SCHEMBL5634097

SCHEMBL5634097

Cc1cc(Nc2ncc3nc(C)c(=O)n(C4CCCC4)c3n2)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CLK4 Q9HAZ1 3/20 0.65
CASP1 P29466 3/20 0.65
CASP7 P55210 3/20 0.65
CYP3A4 P08684 2/20 0.65
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 3/20 0.62
USP2 O75604 2/20 0.62
MAPK1 P28482 1/20 0.54
CDK4 P11802 11/20 0.53
CCND1 P24385 10/20 0.53
CDK2 P24941 4/20 0.53
CCNE1 P24864 2/20 0.53
CCNE2 O96020 1/20 0.53
CDK6 Q00534 6/20 0.52
MAPK8 P45983 4/20 0.52
MAPK9 P45984 4/20 0.52
MAPK10 P53779 4/20 0.52
MAPK14 Q16539 2/20 0.52
CCNA2 P20248 2/20 0.51

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
SCHEMBL5632985 0.87 CDK4 (0.61) CYP1A2CLK4CASP1CASP7CYP3A4
SCHEMBL5634938 0.86 CDK4 (0.60) CYP1A2CLK4CASP1CASP7CYP3A4
Hydrochloric Acid SCHEMBL5520488 0.85 CDK4 (0.59) CYP1A2CLK4CASP1CASP7CYP3A4
SCHEMBL3971064 0.83 CDK4 (0.54) CDK4CCND1CDK2CCNE1CCNE2
SCHEMBL5634391 0.81 CDK2 (0.78) CYP1A2CLK4CASP1CASP7CYP3A4
SCHEMBL6945124 0.81 CDK4 (0.70) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL6944074 0.80 CDK4 (0.72) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL5634313 0.80 CYP1A2 (0.68) CYP1A2CLK4CASP1CASP7CYP3A4
SCHEMBL5520815 0.80 CDK4 (0.77) CYP1A2CLK4CASP1CASP7CYP3A4
SCHEMBL5519294 0.80 CDK4 (0.77) CYP1A2CLK4CASP1CASP7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP claimed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US claimed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 WO claimed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US 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 (2 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 CYP1A2 1680/4885CLK4 375/4885CASP1 3610/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CYP1A2 2294/4885CLK4 361/4885CASP1 3761/4885

“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.