SCHEMBL780445

SCHEMBL780445

C(=C/c1nc(COc2ccc(CCCn3cncn3)cc2)co1)\c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.55
MINK1 Q8N4C8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL780446 1.00 ERBB2 (0.55) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5758919 0.97 ERBB2 (0.58) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5758915 0.97 ERBB2 (0.58) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5762709 0.96 ERBB2 (0.57) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5758033 0.96 ERBB2 (0.57) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5762705 0.96 ERBB2 (0.57) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5758026 0.96 ERBB2 (0.57) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5760576 0.94 ERBB2 (0.50) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5760578 0.94 ERBB2 (0.50) ERBB2MINK1SMN1; SMN2NPC1RAB9A
SCHEMBL5760352 0.90 NPC1 (0.46) ERBB2MINK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060571-A None JP disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
EP-1917978-B1 Premature ovulation preventive agent TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
EP-1591446-B1 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-03-06 EP disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-8058280-B2 Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 US disclosed
US-20110172249-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2011-07-14 US disclosed
EP-2329823-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY Takeda Pharmaceutical Company Limited (JP) 2011-06-08 EP disclosed
EP-1319409-A1 SOLID PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2003-06-18 EP disclosed
EP-1291023-A1 SUSTAINED RELEASE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2003-03-12 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6340686-B1 GONADOTROPIN-RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-1163244-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed
US-6297379-B1 GONADOTROPIN RELEASING HORMONE (GNRH, SOMETIMES CALLED LH-RH (LUTEINIZING HORMONE RELEASING HORMONE)) ANTAGONIZING ACTIVITY, TREATING SEX HORMONE-DEPENDENT DISEASES. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed
EP-1136079-A1 AGENTS FOR RETARDING CHANGE OF HORMONE-DEPENDENT CANCER INTO HORMONE-INDEPENDENT CANCER Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
WO-2000056739-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-28 WO disclosed
JP-H1160571-A HETEROCYCLIC COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1999-03-02 JP 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 (3 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-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ERBB2 1152/4885MINK1 2908/4885SMN1; SMN2 4442/4885
US-20110172249-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY SI, SLC10A2, FABP2 ERBB2 4841/4885MINK1 4022/4885SMN1; SMN2 3330/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ERBB2 1152/4885MINK1 2908/4885SMN1; SMN2 4442/4885

“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.