SCHEMBL2287290

SCHEMBL2287290

Cc1[c]ncnc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 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
SCHEMBL946312 0.74
SCHEMBL790401 0.69
SCHEMBL8502648 0.67
SCHEMBL3706164 0.65
SCHEMBL20607482 0.65
SCHEMBL857213 0.62
SCHEMBL10084152 0.62 CYP11B1 (0.35) COMT
SCHEMBL17331396 0.61 CA2 (0.33)
SCHEMBL1661903 0.61 COMT (0.32) COMT
SCHEMBL587874 0.61 TAAR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
US-20110201496-A1 Substituted 5-Hetaryl-4-Aminopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
WO-2011089012-A2 CAROB BEAN MEAL (CERATONIA SILIQUA) FOR THE TREATMENT OF DIARRHEA GORELLI ROBERTO (DE) 2011-07-28 WO disclosed
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
US-20100093738-A1 Fungicidal Compounds and Fungicidal Compositions BASF SE (DE) 2010-04-15 US disclosed
EP-2097412-A2 FUNGICIDAL N-HETEROARYL-CONDENSED PYRIDINE DERIVATIVES AND FUNGICIDAL COMPOSITIONS BASF SE (DE) 2009-09-09 EP disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US disclosed
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides BASF SE (DE) 2009-04-23 US disclosed
WO-2009007187-A1 SUBSTITUTED 5-HETARYLPYRIMIDINES BASF SE (DE) 2009-01-15 WO disclosed
EP-2010514-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed
WO-2007116079-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed
WO-2007113322-A2 SUBSTITUTED 5-HETARYLPYRIMIDINES FOR COMBATING PLANT PATHOGENIC FUNGI AND CANCERS BASF SE (DE) 2007-10-11 WO disclosed
WO-2007110418-A2 SUBSTITUTED 5-HETARYL-4-AMINOPYRIMIDINES BASF SE (DE) 2007-10-04 WO disclosed
WO-2007101870-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE LATTER BASF SE (DE) 2007-09-13 WO disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
US-20070197389-A1 Azolopyrimidine compounds and use thereof for combating parasitic fungi BASF AKTIENGESELLSCHAFT (DE) 2007-08-23 US disclosed
WO-2006122740-A2 7-AMINO-6-HETARYLIMIDAZOLO[1,2-A]PYRIMIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (5 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-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides CBR3, CBR1, TH COMT 3158/4885
US-20070197389-A1 Azolopyrimidine compounds and use thereof for combating parasitic fungi G6PD, XDH, TPI1 COMT 3216/4885
US-20100093738-A1 Fungicidal Compounds and Fungicidal Compositions CYP51A1, DPM1, ERG28 COMT 490/4885
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides CBR3, CBR1, CNPY2 COMT 4415/4885
US-20110201496-A1 Substituted 5-Hetaryl-4-Aminopyrimidines CBR3, CBR1, CYC1 COMT 3712/4885

“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.