SCHEMBL463788

SCHEMBL463788

COc1ccc(Nc2cc(Nc3ccc(Cl)c(CO)c3)ncn2)cc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.40
EGFR P00533 6/20 0.39
FGFR3 P22607 1/20 0.39
ATM Q13315 1/20 0.39
ERBB2 P04626 2/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
CFTR P13569 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IDO1 P14902 1/20 0.37
AXL P30530 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL463764 0.89 AXL (0.38) SUV39H2EGFRFGFR3ATMERBB2
SCHEMBL10266876 0.85 MAPT (0.38) SUV39H2EGFRFGFR3ATMERBB2
SCHEMBL463785 0.85 KDR (0.40) EGFRERBB2KDREPHB4MKNK2
SCHEMBL415816 0.76 RET (0.47) EGFRFGFR3ERBB2KDREPHB4
SCHEMBL16520531 0.72 CA12 (0.50) SUV39H2IDO1GAA
SCHEMBL15486411 0.71 ALDH1A1 (0.64) ALDH1A1
SCHEMBL7449161 0.71 CA12 (0.50) ATMIDO1ALDH1A1GAA
SCHEMBL21601499 0.71 IDO1 (0.52) IDO1ALDH1A1
SCHEMBL414296 0.70 EGFR (0.42) EGFRFGFR3KDREPHB4
SCHEMBL10258573 0.69 FGFR3 (0.41) EGFRFGFR3ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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 (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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 SUV39H2 3776/4885EGFR 1090/4885FGFR3 536/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 SUV39H2 3963/4885EGFR 1611/4885FGFR3 639/4885

“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.