Sugi Predict

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SCHEMBL5207219

SCHEMBL5207219

Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cn1ccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ NFKB1 P19838 2/20 0.34
▸ FOS P01100 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL5202727 0.76 TRPV3 (0.46) TRPV3NFKB1FOSJUNNFKB2
SCHEMBL5204620 0.71 LMNA (0.45) TRPV3KCNH2TDP2LMNATHRB
SCHEMBL5203839 0.69 CYP1A2 (0.46) TRPV3RAB9ACYP1A2
SCHEMBL27942884 0.69 DPP4 (0.46) TRPV3LMNATHRBNPC1RAB9A
SCHEMBL5249070 0.69 TRPV3 (0.43) TRPV3LMNATHRBMAPTKDM4E
SCHEMBL5219754 0.69 LMNA (0.43) TRPV3KCNH2TDP2LMNATHRB
SCHEMBL15658169 0.66 CCR1 (0.36) KCNH2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5280182 0.64 LMNA (0.50) TRPV3TDP2NFKB1LMNATHRB
SCHEMBL12538714 0.64 TRPV3 (0.50) TRPV3KCNH2TDP2LMNATHRB
SCHEMBL1549695 0.63 KCNH2 (0.41) TRPV3KCNH2NFKB1FOSJUN

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 3202/4885KCNH2 216/4885TDP2 679/4885

“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.