SCHEMBL5987629

SCHEMBL5987629

Cc1ccc2nc(C(F)(F)F)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 8/20 0.49
CHRM4 P08173 2/20 0.41
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 2/20 0.40
APEX1 P27695 1/20 0.40
ADRB2 P07550 1/20 0.40
ELANE P08246 1/20 0.39
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL24188515 0.84 ACSS2 (0.50) ACSS2TLR8ALDH1A1PDE2APDE3B
SCHEMBL24815611 0.81 ACSS2 (0.55) ACSS2TLR8ALDH1A1PDE2APDE3B
SCHEMBL15110814 0.81 MEN1 (0.44) ACSS2CHRM4ALDH1A1PDE2AMAPT
SCHEMBL2119107 0.81 CHRM4 (0.38) ACSS2CHRM4ALDH1A1KDM4EMAPK1
SCHEMBL2117185 0.81 CHRM4 (0.38) ACSS2CHRM4ALDH1A1KDM4EMAPK1
SCHEMBL2117179 0.81 KDM4E (0.44) ACSS2CHRM4ALDH1A1KDM4EMAPT
SCHEMBL17378563 0.81 RAB9A (0.45) ACSS2CHRM4ALDH1A1PDE2AKDM4E
SCHEMBL21017338 0.80 KMT2A (0.48) ACSS2ALDH1A1APEX1ADRB2ELANE
SCHEMBL2118876 0.80 ALDH1A1 (0.43) ACSS2CHRM4ALDH1A1KDM4EMAPK1
SCHEMBL10187684 0.79 ACSS2 (0.52) ACSS2CHRM4ALDH1A1PDE2APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 ACSS2 2388/4885CHRM4 780/4885TLR8 3850/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ACSS2 1982/4885CHRM4 450/4885TLR8 3650/4885

“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.