SCHEMBL1137115

SCHEMBL1137115

O=C(O)c1cncc(Cc2ccccc2)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.59
▸ PTPN2 P17706 2/20 0.59
▸ PTPN6 P29350 2/20 0.59
▸ TSHR P16473 1/20 0.46
▸ HNF4A P41235 1/20 0.46
▸ BCL2 P10415 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ HMGB1 P09429 1/20 0.42
▸ CXCL12 P48061 1/20 0.42
▸ KDM6B O15054 2/20 0.42
▸ ALKBH2 Q6NS38 1/20 0.42
▸ ALKBH3 Q96Q83 1/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ KDM3A Q9Y4C1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL258224 0.78 KDM6B (0.59) PTPN1PTPN2PTPN6TSHRKDM6B
SCHEMBL4951259 0.78 KDM4C (0.56) PTPN1PTPN2PTPN6TSHRKDM6B
SCHEMBL112902 0.77 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL30612910 0.77 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRHNF4A
Bicarbonate SCHEMBL236871 0.76 PTPN1 (0.63) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL1136950 0.76 BCL2 (0.46) PTPN1PTPN2PTPN6BCL2BCL2L1
Bicarbonate SCHEMBL21899873 0.76 PTPN1 (0.63) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL3714683 0.75 PTPN1 (0.76) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL5444611 0.75 PTPN1 (1.00) PTPN1PTPN2PTPN6HNF4ABCL2
SCHEMBL29236440 0.73 PTPN1 (0.97) PTPN1PTPN2PTPN6HNF4ABCL2

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 24 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-7732613-B2 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 — — 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
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
US-20070060613-A1 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 — — US 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 (4 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 PTPN1 1175/4885PTPN2 970/4885PTPN6 1172/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 PTPN1 1175/4885PTPN2 970/4885PTPN6 1172/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 PTPN1 1175/4885PTPN2 970/4885PTPN6 1172/4885
US-20070060613-A1 Met kinase inhibitors MET, ERBB2, ABL1 PTPN1 1285/4885PTPN2 1062/4885PTPN6 1101/4885

“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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