SCHEMBL248689

SCHEMBL248689

Nc1c(Oc2ccc(F)c(C(F)(F)F)c2)ncnc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
CDK8 P49336 2/20 0.44
KDR P35968 8/20 0.41
EGFR P00533 1/20 0.41
MPL P40238 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
BRAF P15056 2/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38
KMO O15229 1/20 0.38
MAP4K4 O95819 1/20 0.37
RAF1 P04049 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36

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
SCHEMBL13531352 0.88 TRPA1 (0.43) TRPA1CDK8KDREGFRHTR2A
SCHEMBL8194713 0.85 NR3C2 (0.40) TRPA1CDK8KDREGFRHTR2A
SCHEMBL249549 0.82 MPL (0.42) CDK8KDRMPLHTR2ASLC6A4
SCHEMBL3368874 0.81 EGFR (0.44) TRPA1CDK8KDREGFRHTR2A
SCHEMBL15170241 0.81 EGFR (0.44) TRPA1CDK8KDREGFRHTR2A
SCHEMBL13542475 0.80 ALDH1A1 (0.50) CDK8KDRMAPTAR
SCHEMBL3366738 0.80 EGFR (0.46) KDREGFRHTR2ASLC6A4KCNH2
SCHEMBL6938479 0.80 KDR (0.48) CDK8KDRHTR2ASLC6A4KCNH2
SCHEMBL1283223 0.79 ALDH1A1 (0.50) CDK8MPLHTR2ASLC6A4KCNH2
SCHEMBL3929860 0.79 CDK8 (0.41) TRPA1CDK8KDRHTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides NOVARTIS AG (CH) 2009-08-06 US claimed
US-8759564-B2 Amidoacetonitrile compounds having pesticidal activity NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8367682-B2 Pyrimidine derivatives and their use as pesticides NOVARTIS AG (CH) 2013-02-05 US disclosed
US-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2012-09-13 US disclosed
WO-2012000922-A2 New Use NOVARTIS AG (CH) 2012-01-05 WO disclosed
EP-2091924-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2011-06-22 EP disclosed
US-20100010003-A1 Pyrimidine Derivatives And Their Use As Pesticides NOVARTIS TIERGESUNDHEIT AG (CH) 2010-01-14 US disclosed
EP-2091924-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 2009-08-26 EP disclosed
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides NOVARTIS AG (CH) 2009-08-06 US disclosed
WO-2008009691-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2008-01-24 WO disclosed
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides FRUCHTEL JORG 2007-07-05 US disclosed
EP-1725539-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES Novartis AG (CH) 2006-11-29 EP disclosed
WO-2005085211-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES NOVARTIS AG (CH) 2005-09-15 WO disclosed
EP-1574502-A1 Use of pyrimidine compounds in the preparation of parasiticides Novartis AG (CH) 2005-09-14 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-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides TYMP, TYMS, P2RX1 TRPA1 2491/4885CDK8 1102/4885KDR 2172/4885
US-20100010003-A1 Pyrimidine Derivatives And Their Use As Pesticides DPYD, TYMP, TYMS TRPA1 1070/4885CDK8 2680/4885KDR 3180/4885
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides TYMP, TYMS, P2RX1 TRPA1 2491/4885CDK8 1102/4885KDR 2172/4885
US-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY ACHE, NAAA, NIT2 TRPA1 194/4885CDK8 2116/4885KDR 4489/4885

“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.