SCHEMBL2963408

SCHEMBL2963408

Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C19 P33261 1/20 1.00
HPGD P15428 2/20 0.68
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
LIPE Q05469 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.47

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
SCHEMBL1154267 0.84 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL10997440 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL11266695 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL11271479 0.81 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL28980967 0.81 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL30366462 0.81 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL10440879 0.80 RAB9A (0.72) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL31694897 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL6098647 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL1154470 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330137-B1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DOWELANCO (US) 1994-03-02 EP claimed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP claimed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP1A2 2537/4885CYP3A4 1862/4885CYP2C19 3102/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CYP1A2 2537/4885CYP3A4 1862/4885CYP2C19 3102/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP1A2 2537/4885CYP3A4 1862/4885CYP2C19 3102/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP1A2 2537/4885CYP3A4 1862/4885CYP2C19 3102/4885

“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.