SCHEMBL463764

SCHEMBL463764

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.38
ATM Q13315 2/20 0.38
BACE1 P56817 2/20 0.38
IDO1 P14902 2/20 0.36
TNNI3K Q59H18 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
FGFR3 P22607 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
CFTR P13569 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CCNT1 O60563 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
SCHEMBL463788 0.89 SUV39H2 (0.40) AXLATMIDO1ALDH1A1GAA
SCHEMBL10266876 0.81 MAPT (0.38) AXLATMFGFR3EGFRERBB2
SCHEMBL463785 0.81 KDR (0.40) EGFRERBB2KDREPHB4MKNK2
SCHEMBL6366962 0.72 STAT3 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL29135632 0.70 CA1 (0.47) AXLCA12CA1CA2CA9
SCHEMBL16504502 0.68 CA12 (0.58) IDO1CA12CA1CA2CA9
SCHEMBL21601499 0.67 IDO1 (0.52) IDO1CA12CA1CA2CA9
SCHEMBL7449161 0.67 CA12 (0.50) ATMIDO1CA12CA1CA2
SCHEMBL414296 0.67 EGFR (0.42) FGFR3EGFRKDREPHB4
SCHEMBL10258573 0.66 FGFR3 (0.41) FGFR3EGFRERBB2

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 AXL 4591/4885ATM 4836/4885BACE1 1463/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 AXL 4678/4885ATM 4794/4885BACE1 1626/4885

“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.