SCHEMBL14917256

SCHEMBL14917256

COc1ccc2c(-c3ccccc3)c(C#N)c(N3CCCCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
ADRA2A P08913 1/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
CASP1 P29466 4/20 0.54
MAPK1 P28482 3/20 0.54
CASP7 P55210 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ALOX15 P16050 2/20 0.54
TP53 P04637 1/20 0.54
PABPC1 P11940 1/20 0.54
APEX1 P27695 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 4/20 0.52

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
SCHEMBL3481335 0.82 MAPT (0.51) ADORA2AKDM4EALDH1A1HPGDRXFP1
SCHEMBL14916907 0.78 KDM4E (0.54) ADORA2AKDM4EALDH1A1HPGDMEN1
SCHEMBL1382239 0.78 KCNA5 (0.53) ADORA2AKDM4EALDH1A1HPGDRXFP1
SCHEMBL14916445 0.78 FABP4 (0.65) ADORA2AKDM4EALDH1A1HPGDRXFP1
SCHEMBL14917025 0.77 KDM4E (0.44) ADORA2AKDM4EALDH1A1HPGDMEN1
SCHEMBL14917294 0.77 FABP4 (0.67) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14927304 0.77 FABP4 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17548684 0.77 FABP4 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14917285 0.77 FABP4 (0.64) ADORA2AKDM4EALDH1A1HPGDRXFP1
SCHEMBL1385352 0.76 KCNA5 (0.53) ADORA2AKDM4EALDH1A1HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 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 (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-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 ADORA2A 2506/4885KDM4E 2685/4885ALDH1A1 928/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 ADORA2A 2406/4885KDM4E 2496/4885ALDH1A1 851/4885

“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.