SCHEMBL643377

SCHEMBL643377

Cc1c(C(=O)c2ccc3cccnc3c2)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.37
MGLL Q99685 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CHRNA7 P36544 2/20 0.36
DOT1L Q8TEK3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACA Q13085 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL643241 0.85 TRPM8 (0.38) TRPM8ALDH1A1MAPK14MGLLTRPV1
SCHEMBL10014901 0.80 ALDH1A1 (0.44) TRPM8ALDH1A1MAPK14EGLN1CHRNA7
SCHEMBL7101680 0.75 KMT2A (0.51) TRPM8ALDH1A1TRPV1EGLN1DOT1L
SCHEMBL644193 0.74 CYP3A4 (0.39) TRPM8ALDH1A1MEN1KMT2A
SCHEMBL1423435 0.74 CDC25B (0.47) ALDH1A1MEN1KMT2ACNR2
SCHEMBL923644 0.73 LMNA (0.37) ALDH1A1KMT2A
SCHEMBL642083 0.70 CYP3A4 (0.40) TRPM8ALDH1A1MEN1KMT2A
SCHEMBL644758 0.69 ALDH1A1 (0.45) TRPM8ALDH1A1MAPK14EGLN1CHRNA7
SCHEMBL1145034 0.68 ALDH1A1 (0.56) TRPM8ALDH1A1TRPV1EGLN1CHRNA7
SCHEMBL29406417 0.68 ALDH1A1 (0.56) TRPM8ALDH1A1TRPV1EGLN1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 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 (2 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-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 TRPM8 2788/4885ALDH1A1 899/4885MAPK14 4051/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 TRPM8 813/4885ALDH1A1 1423/4885MAPK14 3082/4885

“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.