SCHEMBL3675602

SCHEMBL3675602

FC(F)(F)c1ccc(C=Cc2nc(COc3cccc(CCCn4ccnn4)c3)co2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.78
MINK1 Q8N4C8 1/20 0.78

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
SCHEMBL3675600 1.00 ERBB2 (0.78) ERBB2MINK1
SCHEMBL6586153 0.91 ERBB2 (0.64) ERBB2MINK1
SCHEMBL6586147 0.91 ERBB2 (0.64) ERBB2MINK1
SCHEMBL6579814 0.90 ERBB2 (0.95) ERBB2MINK1
SCHEMBL6579812 0.90 ERBB2 (0.95) ERBB2MINK1
Mubritinib SCHEMBL94943 0.88 ERBB2 (1.00) ERBB2MINK1
Mubritinib SCHEMBL571874 0.88 ERBB2 (1.00) ERBB2MINK1
Mubritinib SCHEMBL6758913 0.87 ERBB2 (0.98) ERBB2MINK1
Mubritinib SCHEMBL6758911 0.87 ERBB2 (0.98) ERBB2MINK1
SCHEMBL5556219 0.84 ERBB2 (0.81) ERBB2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US claimed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US claimed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US claimed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP claimed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP claimed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US claimed
US-20100286063-A1 GNRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-11-11 US disclosed
US-7812044-B2 Anticancer agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
US-20070179097-A1 GnRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-08-02 US disclosed
US-20050215528-A1 Breast cancer, precocious puberty, endometriosis, hysteromyoma, Alzheimer's disease, circulatory organ disease, menopausal syndrome, metastasis, premenstrual tension, dysmenorrhea or calcium/phosphorus bone dysbolism; combined with selective estrogen receptor modulator (SERM); side effect reduction TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-29 US disclosed
US-20050119323-A1 Anticancer agents UEMURA, HIROJI (JP) 2005-06-02 US disclosed
EP-1444988-A1 ANTICANCER AGENTS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 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 (9 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-20100286063-A1 GNRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885
US-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ERBB2 6/4885MINK1 340/4885
US-20050119323-A1 Anticancer agents AGT, ACE, CCAR2 ERBB2 1051/4885MINK1 1544/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885
US-20050215528-A1 Breast cancer, precocious puberty, endometriosis, hysteromyoma, Alzheimer's disease, circulatory organ disease, menopausal syndrome, metastasis, premenstrual tension, dysmenorrhea or calcium/phosphorus bone dysbolism; combined with selective estrogen receptor modulator (SERM); side effect reduction GNRHR, BRCA1, SHBG ERBB2 744/4885MINK1 1439/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885
US-20070179097-A1 GnRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885

“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.