SCHEMBL437408

SCHEMBL437408

CN1CCN(CCCCc2cccc(CC(=O)Nc3nc(-c4ccnc(N)c4)cs3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 0.65
CYP3A4 P08684 8/20 0.63
PRKACA P17612 2/20 0.63
CIT O14578 1/20 0.56
JAK2 O60674 1/20 0.56
FLT3 P36888 1/20 0.56
GSK3B P49841 1/20 0.56
JAK3 P52333 1/20 0.56
ROCK2 O75116 1/20 0.54

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
SCHEMBL436512 0.91 ROCK1 (0.65) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL12854833 0.91 ROCK1 (0.66) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL439430 0.90 ROCK1 (0.65) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL437454 0.90 ROCK1 (0.65) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL438730 0.89 ROCK1 (0.82) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL439417 0.85 ROCK1 (0.69) ROCK1CYP3A4PRKACA
SCHEMBL437443 0.85 ROCK1 (0.62) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL12123152 0.83 ROCK1 (0.63) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL439714 0.83 ROCK1 (0.60) ROCK1CYP3A4PRKACAROCK2
SCHEMBL437441 0.82 ROCK1 (0.65) ROCK1CYP3A4PRKACACITJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885CYP3A4 3859/4885PRKACA 61/4885

“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.