SCHEMBL5202727

SCHEMBL5202727

Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 10/20 0.46
SIRT2 Q8IXJ6 1/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
NFKB1 P19838 2/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AHR P35869 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
SCHEMBL8989117 0.83 MEN1 (0.39) NFKB1NFKB2RELAKDM4EALDH1A1
SCHEMBL5204620 0.80 LMNA (0.45) TRPV3LMNATHRBHEXAHEXB
SCHEMBL5203839 0.78 CYP1A2 (0.46) TRPV3CYP1A2
SCHEMBL27942884 0.77 DPP4 (0.46) TRPV3LMNATHRBHEXAHEXB
SCHEMBL5219754 0.77 LMNA (0.43) TRPV3LMNATHRBS1PR1ALDH1A1
SCHEMBL5249070 0.77 TRPV3 (0.43) TRPV3LMNATHRBKDM4EKIF11
SCHEMBL5207219 0.76 TRPV3 (0.40) TRPV3LMNATHRBNFKB1FOS
SCHEMBL5202349 0.72 STAT3 (0.43) TRPV3S1PR1
SCHEMBL5280182 0.72 LMNA (0.50) TRPV3LMNATHRBNFKB1S1PR1
SCHEMBL12538714 0.72 TRPV3 (0.50) TRPV3LMNATHRBS1PR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036066-B1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES MID AMERICA COMMERCIALIZATION (US) 2007-04-18 EP disclosed
US-20040033896-A1 E.g., 5-ethyl-4-((3 -(trifluoromethoxy)phenyl)methyl)-2-(3-(trifluoromethyl)-1H pyrazol-1-yl)pyrimidine and 5-methyl-2-(4-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl) phenyl)methyl)pyrimidine KOETHER GERARD (US) 2004-02-19 US disclosed
US-6525001-B1 5-methyl-2-(4-(trifluoromethyl)phenyl)-4-((3 -(trifluoromethyl)phenyl)methyl)pyrimidine MID-AMERICAN COMMERCIALIZATION CORPORATION 2003-02-25 US disclosed
EP-1036066-A1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-20 EP disclosed
WO-1999028301-A1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-10 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 (1 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-20040033896-A1 E.g., 5-ethyl-4-((3 -(trifluoromethoxy)phenyl)methyl)-2-(3-(trifluoromethyl)-1H pyrazol-1-yl)pyrimidine and 5-methyl-2-(4-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl) phenyl)methyl)pyrimidine PYM1, Q6ZSR9, MRM1 TRPV3 3202/4885SIRT2 2836/4885LMNA 3056/4885

“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.