SCHEMBL1719977

SCHEMBL1719977

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.39
PARP1 P09874 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.36
GRM2 Q14416 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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) CSNK2A1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL1720489 0.81 KDM4E (0.54) SMN1; SMN2ALDH1A1
SCHEMBL24102357 0.78 PARP1 (0.47) MAPK8PARP1CSNK2A1MEN1KMT2A
SCHEMBL3658428 0.77 ICMT (0.44) MAPK8PARP1CSNK2A1MEN1KMT2A
SCHEMBL2863807 0.77 BCAT2 (0.46) MAPK8PARP1MEN1KMT2ANPC1
SCHEMBL3972897 0.76 CSNK2A1 (0.46) CSNK2A1MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL4640154 0.75 GRM2 (0.44) PARP1CSNK2A1HPGDMAP2K2MAP2K1
SCHEMBL5747184 0.75 BTK (0.42) MAPK8PARP1MEN1KMT2AHPGD
SCHEMBL3076387 0.74 TRPA1 (0.46) CSNK2A1MEN1KMT2ANPC1HPGD
SCHEMBL28886000 0.74 TDP1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 MAPK8 3937/4885PARP1 1/4885CSNK2A1 3536/4885

“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.