SCHEMBL2453751

SCHEMBL2453751

Nc1ncnc(OCc2ccc(Cl)cc2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
MAOB P27338 5/20 0.40
TACR2 P21452 1/20 0.39
DHFR P00374 1/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
APP P05067 1/20 0.36
NR4A2 P43354 1/20 0.36
ERBB2 P04626 2/20 0.36
MAP4K4 O95819 1/20 0.36
MAOA P21397 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL2452662 0.86 MGMT (0.49) EGFRMAOBIDO1AGXTAPP
SCHEMBL5319746 0.85 EGFR (0.53) EGFRMAOBERBB2MAOA
SCHEMBL2450814 0.85 NPC1 (0.48) EGFRIDO1ERBB2
SCHEMBL2453807 0.84 CDC7 (0.52) EGFRMAOBDHFRIDO1AGXT
SCHEMBL2454298 0.82 MAOA (0.39) EGFRMAOBERBB2MAP4K4MAOA
SCHEMBL2451011 0.82 EGFR (0.39) EGFR
SCHEMBL2457873 0.81 EGFR (0.40) EGFRMAOBERBB2
SCHEMBL2454253 0.81 IDO1 (0.44) EGFRIDO1NR4A2
SCHEMBL12303624 0.80 RET (0.56) EGFRERBB2
SCHEMBL2455082 0.80 RET (0.56) EGFRERBB2

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 EGFR 1449/4885MAOB 2116/4885TACR2 4445/4885

“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.