SCHEMBL4371735

SCHEMBL4371735

Cc1ccc(C(=O)NCc2cccc(C#N)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.56
ROCK1 Q13464 1/20 0.55
VNN1 O95497 5/20 0.55
MAOA P21397 1/20 0.52
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
IDO1 P14902 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL17237438 0.83 NPC1 (0.67) ROCK2ROCK1VNN1
SCHEMBL25044558 0.81 L3MBTL1 (0.69) ROCK2ROCK1KDM4E
SCHEMBL3608476 0.80 GRM5 (0.56) VNN1
SCHEMBL9365904 0.79 MAOA (0.66) ROCK2ROCK1VNN1MAOAIDO1
SCHEMBL13491458 0.78 ROCK2 (0.56) ROCK2ROCK1VNN1MAOAIDO1
SCHEMBL30737520 0.77 MAOA (0.57) ROCK2ROCK1VNN1MAOAIDO1
SCHEMBL25374278 0.76 POLB (0.57) ROCK2VNN1MAOAKLKB1KLK1
SCHEMBL3461756 0.76 ERCC1 (0.60) ROCK2VNN1MAOAKLKB1KLK1
SCHEMBL11627692 0.76 VNN1 (0.67) ROCK2VNN1
SCHEMBL26507994 0.75 ROCK2 (0.52) ROCK2ROCK1VNN1MAOAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 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 (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-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 ROCK2 1991/4885ROCK1 1781/4885VNN1 2561/4885

“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.