SCHEMBL2064584

SCHEMBL2064584

COc1ccc(Nc2cc(Nc3cc(Cl)ccc3OCC[CH]CCO)ncn2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.44
TNNI3K Q59H18 4/20 0.44
ERBB3 P21860 4/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
POLB P06746 1/20 0.38
BRAF P15056 2/20 0.37
FGFR1 P11362 1/20 0.37
RAF1 P04049 1/20 0.37
CDC7 O00311 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL1321972 0.77 RET (0.60) EGFRERBB3RETKIF5BKDR
SCHEMBL3421008 0.74 TNNI3K (0.52) EGFRTNNI3KERBB3CDK4CDK2
SCHEMBL415816 0.73 RET (0.47) EGFRTNNI3KERBB3RETKIF5B
SCHEMBL15486963 0.73 RET (0.54) EGFRTNNI3KERBB3RETKIF5B
SCHEMBL2175687 0.67 EGFR (0.57) EGFRERBB3POLB
SCHEMBL7777444 0.67 EGFR (0.57) EGFRERBB3KDRAURKAAURKB
SCHEMBL2064298 0.66 KMT2A (0.43) POLB
SCHEMBL27625432 0.65 KDR (0.52) EGFRERBB3RETKIF5BKDR
SCHEMBL7777464 0.65 EGFR (0.61) EGFRERBB3KDRBRAFRAF1
SCHEMBL15486220 0.64 USP2 (0.72) CDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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 (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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885TNNI3K 4409/4885ERBB3 603/4885

“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.