SCHEMBL2453807

SCHEMBL2453807

Nc1ncnc(OCc2cccc(Cl)c2)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
EGFR P00533 2/20 0.47
PIN1 Q13526 1/20 0.46
MPO P05164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 4/20 0.45
DHFR P00374 2/20 0.44
DCPS Q96C86 1/20 0.44
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAOA P21397 1/20 0.41
ERBB2 P04626 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL2451281 0.85 MAOB (0.50) EGFRMAOBIDO1AGXTMAOA
SCHEMBL2450854 0.85 MAP3K7 (0.51) EGFRMPOMAOBIDO1AGXT
SCHEMBL2453751 0.84 EGFR (0.46) EGFRMAOBDHFRIDO1AGXT
SCHEMBL5319746 0.84 EGFR (0.53) CDC7DBF4EGFRHPGDMAOB
SCHEMBL2450814 0.83 NPC1 (0.48) EGFRCYP3A4IDO1ERBB2
SCHEMBL2453432 0.83 EGFR (0.53) CDC7DBF4EGFRERBB2
SCHEMBL12303612 0.83 EGFR (0.53) CDC7DBF4EGFRERBB2
SCHEMBL2453435 0.83 EGFR (0.53) CDC7DBF4EGFRERBB2
SCHEMBL2454013 0.82 MAOB (0.48) EGFRPIN1MPOMAOBDHFR
SCHEMBL2452871 0.81 MAOB (0.51) MAOBIDO1MAOANR4A2

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 CDC7 198/4885DBF4 2021/4885EGFR 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.