SCHEMBL14723045

SCHEMBL14723045

N#Cc1cc2cc[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.55
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
AHR P35869 7/20 0.50
NR4A2 P43354 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
CMA1 P23946 1/20 0.46
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
CHEK1 O14757 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
CYP2A6 P11509 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL12803944 0.78 IMPDH2 (0.55) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL16858408 0.78 GPR84 (0.62) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL613747 0.78 CSNK2A1 (0.69) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL17429714 0.74 IMPDH2 (0.55) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL31200238 0.74 GPR84 (0.62) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL1420716 0.74 GPR84 (0.62) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL15300772 0.74 CSNK2A1 (0.55) CSNK2A1IMPDH2IMPDH1AHRNR4A2
SCHEMBL27940200 0.74 IMPDH2 (0.50) IMPDH2IMPDH1AHRGPR84CYP2A6
SCHEMBL91366 0.71 IMPDH2 (1.00) IMPDH2IMPDH1AHRNR4A2F7
SCHEMBL615624 0.71 CSNK2A1 (0.60) CSNK2A1IMPDH2IMPDH1AHRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 US disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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 (3 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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof KDM1A, KDM5A, KDM1B CSNK2A1 167/4885IMPDH2 644/4885IMPDH1 445/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B CSNK2A1 167/4885IMPDH2 644/4885IMPDH1 445/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 CSNK2A1 481/4885IMPDH2 4339/4885IMPDH1 3768/4885

“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.