SCHEMBL3075346

SCHEMBL3075346

OCc1coc(C=Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.67

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
SCHEMBL3075344 1.00 ERBB2 (0.67) ERBB2
SCHEMBL5749646 0.89 ERBB2 (0.61) ERBB2
SCHEMBL5749650 0.89 ERBB2 (0.61) ERBB2
SCHEMBL4499821 0.86 ERBB2 (0.65) ERBB2
SCHEMBL4499820 0.86 ERBB2 (0.65) ERBB2
SCHEMBL5749396 0.84 ERBB2 (0.62) ERBB2
SCHEMBL5749401 0.84 ERBB2 (0.62) ERBB2
SCHEMBL4154802 0.82 ERBB2 (0.49) ERBB2
SCHEMBL4154806 0.82 ERBB2 (0.49) ERBB2
SCHEMBL22397906 0.82 ERBB2 (0.46) ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090093491-A1 Diazine Azole Derivatives, Their Manufacture and Use as Pharmaceutical JENNI WOLFGANG 2009-04-09 US disclosed
EP-1934210-A1 DIAZINE AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039226-A1 DIAZINE AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
CN-1934106-A Novel diazine derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-21 CN disclosed
EP-1758897-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP disclosed
US-7179812-B2 Diazine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-20 US disclosed
WO-2005097785-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-20 WO disclosed
US-20050222228-A1 Novel diazine derivatives HOFFMANN-LA ROCHE INC. 2005-10-06 US disclosed
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
US-6743924-B2 EFFICIENT, HIGH YEILD SYNTHESIS OF TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-01 US disclosed
EP-1310491-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-1,2,3-TRIAZOLE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-10 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 ERBB2 835/4885
US-20050222228-A1 Novel diazine derivatives BRCA1, SLC5A1, PDHA1 ERBB2 1298/4885
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives ABL1, ROS1, ADH1A ERBB2 78/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 ERBB2 77/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ERBB2 842/4885
US-20090093491-A1 Diazine Azole Derivatives, Their Manufacture and Use as Pharmaceutical CYP3A5, CYP3A7, CYP3A43 ERBB2 1997/4885

“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.