SCHEMBL3668068

SCHEMBL3668068

Cc1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.80
MINK1 Q8N4C8 1/20 0.80
ATP4A P20648 5/20 0.33
ATP4B P51164 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TYR P14679 1/20 0.33
CYP19A1 P11511 2/20 0.32
FFAR1 O14842 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL3668064 1.00 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BNPC1
SCHEMBL26316661 0.97 ERBB2 (0.76) ERBB2MINK1ATP4AATP4BNPC1
SCHEMBL5532797 0.93 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BRAB9A
SCHEMBL5532795 0.93 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BRAB9A
SCHEMBL22397926 0.92 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28480663 0.92 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398091 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398052 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL22397904 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BNPC1
SCHEMBL22398093 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286063-A1 GNRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-11-11 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-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
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 (8 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 1352/4885ATP4A 4481/4885
US-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ERBB2 6/4885MINK1 340/4885ATP4A 3622/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885ATP4A 3772/4885
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 1439/4885ATP4A 2815/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885ATP4A 2449/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885ATP4A 3409/4885
US-20070179097-A1 GnRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885ATP4A 4481/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885ATP4A 2085/4885

“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.