SCHEMBL3374333

SCHEMBL3374333

Cc1ccc2ncc(C#N)c(Cl)c2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRM4 P08173 2/20 0.36
CCR1 P32246 1/20 0.35
RAB9A P51151 1/20 0.35
CCR5 P51681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIN1 Q13526 1/20 0.34
SRC P12931 3/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL24569769 0.83 CSNK1A1 (0.40) CSNK1A1CLK4ALDH1A1CHRM4RAB9A
SCHEMBL15979212 0.83 RAB9A (0.38) ALDH1A1CHRM4CCR1RAB9ACCR5
SCHEMBL3278716 0.80 SRC (0.39) SRC
SCHEMBL6644636 0.78 SRC (0.38) CSNK1A1CLK4ALDH1A1RAB9AKDM4E
SCHEMBL3372252 0.75 SRC (0.40) CHRM4SRCLRRK2
SCHEMBL13069292 0.75 KDM5A (0.37) ALDH1A1CHRM4RAB9AKDM4EHPGD
SCHEMBL6642446 0.75 PTK2 (0.44) KDM4ELRRK2
SCHEMBL6646968 0.73 KDM4E (0.39) CSNK1A1CLK4ALDH1A1RAB9AKDM4E
SCHEMBL24010609 0.71 CHRM4 (0.45) CHRM4SRCLRRK2
SCHEMBL15979044 0.70 CCR1 (0.41) ALDH1A1CCR1RAB9ACCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
CN-101155808-B Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed
CN-101155808-A Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD CSNK1A1 4208/4885CLK4 1239/4885ALDH1A1 802/4885
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones CDK4, CDK1, CDK14 CSNK1A1 143/4885CLK4 287/4885ALDH1A1 2579/4885

“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.