SCHEMBL2452736

SCHEMBL2452736

Nc1ncnc(Oc2ccc(Nc3ccccc3)cc2)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
CSF1R P07333 5/20 0.44
EGFR P00533 3/20 0.43
BTK Q06187 2/20 0.43
RET P07949 1/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
FLT3 P36888 1/20 0.43
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
TEK Q02763 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL2455549 0.83 KDR (0.49) KDREGFRBTKRET
SCHEMBL2453411 0.82 RET (0.69) KDRRET
SCHEMBL2453408 0.82 RET (0.69) KDRRET
SCHEMBL1095638 0.82 EGFR (0.56) KDREGFRBTKFLT3TTBK1
SCHEMBL2453476 0.81 RET (0.45) KDREGFRBTKRET
SCHEMBL2451247 0.81 MAOB (0.48) KDREGFRRET
SCHEMBL2450638 0.79 RET (0.54) KDRRETCCNA2CDK2CCNA1
SCHEMBL2448477 0.79 RET (0.65) KDRCSF1RRETFLT3TEK
SCHEMBL1095423 0.79 EGFR (0.59) EGFRBTKTTBK1TTBK2
SCHEMBL838399 0.76 TRPA1 (0.47) EGFRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO claimed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK KDR 1975/4885CSF1R 1413/4885EGFR 1449/4885

“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.