SCHEMBL1137054

SCHEMBL1137054

COc1ccc(CNc2cc(Oc3ccc(N)cc3F)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.51
▸ MAP2K7 O14733 5/20 0.49
▸ HDAC1 Q13547 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ VNN1 O95497 1/20 0.39

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
SCHEMBL13998786 0.87 HDAC1 (0.42) RAF1MAP2K7HDAC1EGFRMAPK3
SCHEMBL22541680 0.85 MAP2K7 (0.58) MAP2K7HDAC1MEN1KMT2ACLK4
SCHEMBL1136780 0.83 KMT2A (0.55) RAF1MAP2K7MEN1KMT2AEGFR
SCHEMBL1136804 0.81 MET (0.48) CLK4TP53VNN1HTT
SCHEMBL1140184 0.79 RAF1 (0.64) RAF1MAP2K7MAPK3
SCHEMBL1140183 0.77 RAF1 (0.53) RAF1MAP2K7HDAC1MAPK3
SCHEMBL1136789 0.77 RAF1 (0.63) RAF1MAP2K7CYP3A4MAPK3
SCHEMBL4336021 0.76 RAF1 (0.55) RAF1HSD17B10POLBMAPK3
SCHEMBL22592346 0.75 MAP2K7 (0.59) RAF1MAP2K7MEN1KMT2ACLK4
SCHEMBL27711542 0.73 CXCR4 (0.54) HDAC1TP53TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 — — CN disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 — — US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 — — US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 — — US disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 — — US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 — — US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 — — US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 — — US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 — — US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 — — US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 — — US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 — — US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — US disclosed
CN-101128199-A Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-02-20 — — CN disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 — — EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 — — 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 (3 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-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 RAF1 142/4885MAP2K7 60/4885HDAC1 295/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 RAF1 142/4885MAP2K7 60/4885HDAC1 295/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 RAF1 142/4885MAP2K7 60/4885HDAC1 295/4885

“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.

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