SCHEMBL1086589

SCHEMBL1086589

FC(F)Sc1[c]cccc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 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
SCHEMBL198664 0.77 MAP2K7 (0.34)
SCHEMBL980439 0.73
SCHEMBL5464880 0.72
SCHEMBL819437 0.72 MAPT (0.32)
SCHEMBL2423602 0.72
SCHEMBL11117920 0.71 HTR2A (0.31)
SCHEMBL6795131 0.71 TSHR (0.38)
SCHEMBL7963636 0.71 KMT2A (0.42)
SCHEMBL440187 0.70
SCHEMBL11667582 0.70 CYP2C19 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US claimed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US claimed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 EP claimed
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 EP claimed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 US claimed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 WO claimed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 WO claimed
EP-0643707-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1995-03-22 EP claimed
WO-1993024474-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1993-12-09 WO claimed
US-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 US disclosed
WO-2018116073-A1 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT PI INDUSTRIES LTD. (IN) 2018-06-28 WO disclosed
EP-2758050-B1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-08-31 EP disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 EP disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP disclosed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 US disclosed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 WO disclosed
EP-0643707-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1995-03-22 EP disclosed
WO-1993024474-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1993-12-09 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 (4 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 DRD1 440/4885
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DRD1 4762/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 DRD1 4762/4885
US-20050113423-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DRD1 4762/4885

“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.