SCHEMBL6180227

SCHEMBL6180227

Cc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.58
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
MAT2A P31153 1/20 0.49
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.47
SCN5A Q14524 4/20 0.47
ABL1 P00519 4/20 0.46
BCR P11274 3/20 0.46
CYP2A6 P11509 1/20 0.45

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
SCHEMBL31375535 0.84 SCN10A (0.52) SCN10ACCR1CCR5CCR8MAT2A
SCHEMBL10163809 0.81 SCN10A (0.50) SCN10AMAT2AKDM5AKDM2BKDM4C
SCHEMBL31695263 0.80 CCR1 (0.76) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL27344644 0.80 CCR1 (0.76) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL28042873 0.80 SCN10A (0.55) SCN10AMAT2AKDM5AKDM2BKDM4C
SCHEMBL913245 0.80 CCR1 (0.57) CCR1CCR5CCR8KDM4EMAPT
SCHEMBL2161283 0.78 ABL1 (0.55) CCR1CCR5CCR8KDM2BKDM4C
SCHEMBL22738476 0.77 SCN5A (0.50) SCN10AMAT2AKDM4EGAAMAPT
SCHEMBL894210 0.77 SCN10A (0.46) SCN10AMAT2AKDM5AKDM2BKDM4C
SCHEMBL13044942 0.77 SCN10A (0.46) SCN10AMAT2AKDM5AKDM2BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US 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-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 SCN10A 3616/4885CCR1 824/4885CCR5 1748/4885

“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.