SCHEMBL4961476

SCHEMBL4961476

N#Cc1nc2ccccc2cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 3/20 0.58
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
GLA P06280 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 3/20 0.46
ACHE P22303 1/20 0.46
HTR3A P46098 1/20 0.44
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8026750 0.78 ALDH1A1 (0.65) ALDH1A1GAAKDM4EKMT2AGLA
SCHEMBL18751057 0.78 ALDH1A1 (0.44) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL30824519 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL4744938 0.77 TDP1 (0.53) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL31105792 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2AGLA
SCHEMBL31314315 0.77 TDP1 (0.53) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL3232438 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2AGLA
SCHEMBL13405536 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL28326811 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2ANPC1
SCHEMBL12116996 0.77 ALDH1A1 (0.53) ALDH1A1GAAKDM4EKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026072-A Substituted oxopyridine derivatives 拜耳制药股份公司 2018-05-11 CN disclosed
US-9073863-B2 Cyanoquinoline compounds having activity in correcting mutant-CFTR processing and increasing ion transport and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 US disclosed
US-20140296215-A1 Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-02 US disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012166654-A1 CYANOQUINOLINE COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND INCREASING ION TRANSPORT AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-06 WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
EP-1885875-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2008-02-13 EP disclosed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 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 (1 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-20140296215-A1 Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof CFTR, SLC47A1, SLC47A2 ALDH1A1 3445/4885GAA 570/4885KDM4E 3619/4885

“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.