SCHEMBL3972897

SCHEMBL3972897

Cc1ccc(C(=O)O)c(CC#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
MAOB P27338 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL1720707 0.86 CSNK2A1 (0.50) CSNK2A1MEN1KMT2AALDH1A1KDM4E
SCHEMBL623349 0.82 CSNK2A1 (0.52) CSNK2A1BRD4MEN1KMT2AALDH1A1
SCHEMBL1549076 0.80 CSNK2A1 (0.53) CSNK2A1BRD4MEN1KMT2AALDH1A1
SCHEMBL3969507 0.79 KDM4E (0.44) CSNK2A1MEN1KMT2AKDM4EPOLB
SCHEMBL27960925 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1720594 0.79 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL3968709 0.79 AKR1C3 (0.47) KMT2AALDH1A1KDM4EHTTPOLB
SCHEMBL14927072 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMCL1NOTUM
SCHEMBL18280409 0.77 CSNK2A1 (0.50) CSNK2A1BRD4MEN1KMT2AALDH1A1
SCHEMBL20943211 0.77 CSNK2A1 (0.50) CSNK2A1BRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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 (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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 CSNK2A1 1537/4885BRD4 950/4885MEN1 2037/4885
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A CSNK2A1 2162/4885BRD4 95/4885MEN1 3321/4885

“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.