SCHEMBL2529902

SCHEMBL2529902

CC(C)(C)[SiH2]OC(C)(C)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
CYP19A1 P11511 3/20 0.37
CYP17A1 P05093 1/20 0.37
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL501357 0.76 UHRF1 (0.39)
SCHEMBL7262937 0.75 MAPK1 (0.32) MAPK1ALDH1A1ALOX15
SCHEMBL4406050 0.75 ALDH1A1 (0.44) KIF11MAPK1RAB9AALDH1A1ALOX15
SCHEMBL5270913 0.75 ESR1 (0.48) KIF11ALDH1A1ALOX15
SCHEMBL5208034 0.75 CYP2A6 (0.33) MAPK1ALDH1A1ALOX15
SCHEMBL1166696 0.74 AR (0.34)
SCHEMBL5312279 0.74 RECQL (0.33)
SCHEMBL331282 0.74 NOS3 (0.49)
SCHEMBL979053 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL480782 0.72 CYP19A1 (0.36) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841747-B1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2012-09-05 EP disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; IRM LLC (BM) 2009-10-15 US disclosed
US-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof SK HOLDINGS CO., LTD 2009-08-20 US disclosed
US-7569593-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-08-04 US disclosed
CN-100455579-C Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-01-28 CN disclosed
EP-1670780-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-12-17 EP disclosed
EP-1042293-B9 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-09-03 EP disclosed
US-20080108615-A1 Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors SMITHKLINE BEECHAM P.L.C 2008-05-08 US disclosed
EP-1042293-B1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-03-19 EP disclosed
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors DEAN DAVID KENNETH (GB) 2004-07-01 US disclosed
EP-1397354-A1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-03-17 EP disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
EP-1318992-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002094808-A1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-28 WO disclosed
WO-2002024680-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
US-6174901-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, PAGETS DISEASE, OSTEOPHOROSIS, MULTIPLE MYELOMA, UVEITITIS, ACUTE OR CHRONIC MYELOGENOUS LEUKEMIA, PANCREATIC .BETA. CELL DESTRUCTION, OSTEOARTHRITIS, RHEUMATOID SPONDYLITIS, GOUTY ARTHRITIS ETC. AMGEN INC. 2001-01-16 US disclosed
EP-1042293-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Amgen Inc. (US) 2000-10-11 EP disclosed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 WO 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-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; PDGFRA, RAF1, FLT1 KIF11 543/4885CYP19A1 2544/4885CYP17A1 3663/4885
US-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof HDAC1, HDAC5, HDAC7 KIF11 2906/4885CYP19A1 1623/4885CYP17A1 515/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF KIF11 2188/4885CYP19A1 1965/4885CYP17A1 2548/4885
US-20040127496-A1 Imidazole-2-carboxamide derivatives as raf kinase inhibitors RAF1, BRAF, ARAF KIF11 3793/4885CYP19A1 3497/4885CYP17A1 3925/4885
US-20080108615-A1 Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors BRAF, RAF1, ARAF KIF11 1908/4885CYP19A1 4142/4885CYP17A1 4092/4885

“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.