SCHEMBL5604644

SCHEMBL5604644

Fc1ccc(C=Cc2nc(COc3cccc(CCCn4ccnn4)c3)co2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
PPARA Q07869 4/20 0.39
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PPARG P37231 2/20 0.33
GRM5 P41594 3/20 0.32
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32

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
SCHEMBL5604640 1.00 ERBB2 (0.54) ERBB2MINK1PPARANOS3NOS1
SCHEMBL6586153 0.90 ERBB2 (0.64) ERBB2MINK1PPARANOS3NOS1
SCHEMBL6586147 0.90 ERBB2 (0.64) ERBB2MINK1PPARANOS3NOS1
SCHEMBL6582276 0.89 ERBB2 (0.68) ERBB2MINK1PPARAGRM5MAPT
SCHEMBL6582279 0.89 ERBB2 (0.68) ERBB2MINK1PPARAGRM5MAPT
SCHEMBL24112048 0.83 ERBB2 (0.65) ERBB2MINK1GRM5MAPTFFAR1
SCHEMBL3675600 0.82 ERBB2 (0.78) ERBB2MINK1
SCHEMBL3675602 0.82 ERBB2 (0.78) ERBB2MINK1
SCHEMBL28469047 0.82 ERBB2 (0.75) ERBB2MINK1MAPTFFAR1
SCHEMBL22398126 0.82 ERBB2 (0.75) ERBB2MINK1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1424080-A1 GNRH AGONIST COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (7 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ERBB2 6/4885MINK1 340/4885PPARA 3705/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885PPARA 4010/4885
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 1439/4885PPARA 3032/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885PPARA 2455/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885PPARA 633/4885
US-20070179097-A1 GnRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885PPARA 2120/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885PPARA 2800/4885

“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.