SCHEMBL14916740

SCHEMBL14916740

COc1ccc2c(-c3ccccc3)c(C#N)c(=O)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.65
PDE1C Q14123 1/20 0.56
HPGD P15428 4/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.49
EGFR P00533 1/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.46
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL5618530 0.91 MAPK1 (0.59) PDE9APDE1CHPGDKDM4EALDH1A1
SCHEMBL5618029 0.82 MAPK1 (0.53) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9225121 0.82 ALDH1A1 (0.60) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL16695703 0.80 KDM4E (0.54) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL5617880 0.80 TUBB1 (0.47) PDE9APDE1CKMT2AMEN1MAPK1
SCHEMBL5618046 0.80 PDE9A (1.00) PDE9APDE1CHPGDKDM4EALDH1A1
SCHEMBL10097356 0.79 ALDH1A1 (0.53) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7825662 0.79 PADI4 (0.57) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4827488 0.78 CYP1A2 (0.62) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL2640045 0.78 ALDH1A1 (0.58) PDE9APDE1CHPGDKDM4EALDH1A1

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 PDE9A 4687/4885PDE1C 3716/4885HPGD 4079/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 PDE9A 4631/4885PDE1C 3378/4885HPGD 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.