SCHEMBL14916907

SCHEMBL14916907

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA1 P30542 6/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 2/20 0.43
SQOR Q9Y6N5 1/20 0.43
TACR3 P29371 2/20 0.42
MAPT P10636 1/20 0.42
CDK2 P24941 1/20 0.42
CLK1 P49759 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2168476 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL24373484 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL30774249 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL4824018 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2168279 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14916806 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14917025 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14920695 0.78 DPP4 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14917256 0.78 ADORA2A (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL28364890 0.77 ESR1 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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 KDM4E 2685/4885ALDH1A1 928/4885HPGD 4079/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 KDM4E 2496/4885ALDH1A1 851/4885HPGD 4143/4885

“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.