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SCHEMBL9945372

SCHEMBL9945372

COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)C(=O)N2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.65
▸ BRD4 O60885 14/20 0.65
▸ BRDT Q58F21 13/20 0.65
▸ PLK3 Q9H4B4 4/20 0.61
▸ PLK2 Q9NYY3 2/20 0.61
▸ RAD52 P43351 1/20 0.61
▸ PRKD3 O94806 3/20 0.61
▸ CLK2 P49760 3/20 0.61
▸ PTK2 Q05397 3/20 0.61
▸ CAMK2G Q13555 3/20 0.61
▸ CAMK2D Q13557 3/20 0.61
▸ PRKD2 Q9BZL6 3/20 0.61
▸ CSNK1G1 Q9HCP0 3/20 0.61
▸ CSNK1G3 Q9Y6M4 3/20 0.61
▸ MAP4K4 O95819 2/20 0.61
▸ PRKCG P05129 2/20 0.61
▸ RPS6KA3 P51812 2/20 0.61
▸ NEK4 P51957 2/20 0.61
▸ SRPK1 Q96SB4 1/20 0.61
▸ DAPK3 O43293 2/20 0.58

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
SCHEMBL12825181 1.00 PLK1 (0.65) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2397193 1.00 PLK1 (0.65) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2396984 0.93 PLK1 (0.76) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2397004 0.93 PLK1 (0.76) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2397140 0.93 PLK1 (0.76) PLK1BRD4BRDTPLK3PLK2
SCHEMBL4080141 0.93 PLK1 (0.67) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2394140 0.92 PLK1 (0.75) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13625224 0.92 PLK1 (0.78) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2395419 0.92 PLK1 (0.75) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2395423 0.92 PLK1 (0.75) PLK1BRD4BRDTPLK3PLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 — — US disclosed
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 — — US disclosed
US-8394952-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394952-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-8022202-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-20 — — US disclosed
US-8022202-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-20 — — US disclosed
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 — — US disclosed
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 — — US disclosed
US-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 — — US disclosed
US-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 — — US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — 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 (6 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-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS DCK, MAP3K5, MAP3K1 PLK1 42/4885BRD4 1592/4885BRDT 1490/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885BRD4 123/4885BRDT 42/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885

“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.