SCHEMBL4818237

SCHEMBL4818237

Nc1ccc(Oc2ncnn3cccc23)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.48
EGFR P00533 2/20 0.42
KDR P35968 2/20 0.42
MET P08581 2/20 0.39
TRPA1 O75762 6/20 0.36
AXL P30530 2/20 0.35
PIK3CA P42336 1/20 0.34

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
SCHEMBL31554461 0.83 TRPA1 (0.39) METTRPA1AXL
SCHEMBL17228686 0.81 MAP4K4 (0.44) MAP4K4EGFRKDRMETTRPA1
SCHEMBL1968020 0.80 AXL (0.48) MAP4K4METAXL
SCHEMBL12406060 0.80 KDR (0.39) EGFRKDRMETTRPA1
SCHEMBL12406074 0.80 MAP4K4 (0.44) MAP4K4METAXL
SCHEMBL4817688 0.80 MAP4K4 (0.44) MAP4K4EGFRKDRMET
SCHEMBL4047329 0.79 MET (0.59) EGFRKDRMETTRPA1
SCHEMBL14252959 0.78 MAP4K4 (0.62) MAP4K4PIK3CA
SCHEMBL4817538 0.78 MET (0.45) EGFRKDRMETTRPA1
SCHEMBL16863199 0.77 AXL (0.54) METAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
WO-2010044543-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR 주식회사 네오팜 (KR) 2010-04-22 WO disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (5 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885EGFR 408/4885KDR 821/4885
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK MAP4K4 149/4885EGFR 10/4885KDR 181/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MAP4K4 28/4885EGFR 1009/4885KDR 1746/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885EGFR 408/4885KDR 821/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK MAP4K4 149/4885EGFR 10/4885KDR 181/4885

“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.