SCHEMBL12372

SCHEMBL12372

Cc1cccc(CN2CC(F)(F)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 2/20 0.48
GBA1 P04062 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ACHE P22303 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL18082561 0.85 HRH3 (0.50) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL12203 0.83 CHRM2 (0.55) ALDH1A1KDM4EMAPTHTTACHE
SCHEMBL11002867 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHTTGBA1
SCHEMBL22702113 0.79 CYP11B1 (0.44) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL12449575 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AACHE
SCHEMBL17285919 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTGBA1MEN1
SCHEMBL16316076 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHTTGBA1
SCHEMBL31546411 0.77 HRH3 (0.69) ALDH1A1KDM4EMAPTHTTHRH3
SCHEMBL12981 0.77 HRH3 (0.69) ALDH1A1KDM4EMAPTHTTHRH3
SCHEMBL15587395 0.76 MAP4K4 (0.43) ALDH1A1MEN1KMT2ACYP11B1CYP11B2

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
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885KDM4E 1288/4885MAPT 4689/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885KDM4E 1288/4885MAPT 4689/4885

“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.