SCHEMBL5093802

SCHEMBL5093802

COCCN(C)Cc1cccc2c1ccn2-c1ccnc([S+](C)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 0.39
MAPK8 P45983 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
SCHEMBL5090342 0.76 ROCK1 (0.39) ROCK1
SCHEMBL11938729 0.75 ROCK1 (0.39) ROCK1MAPK8
SCHEMBL5096293 0.74 ROCK1 (0.51) ROCK1MAPK8
SCHEMBL2510492 0.74 ROCK1 (0.38) ROCK1MAPK8
SCHEMBL14768213 0.73 MAPK8 (0.58) MAPK8
SCHEMBL14175898 0.73 MAPK8 (0.58) MAPK8
SCHEMBL14193105 0.71 ROCK1 (0.36) ROCK1MAPK8
SCHEMBL5095954 0.70 MAPK8 (0.57) ROCK1MAPK8
SCHEMBL5102030 0.70 CDC7 (0.38) ROCK1
SCHEMBL28179643 0.70 CDK2 (0.58) ROCK1MAPK8

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-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 ROCK1 497/4885MAPK8 40/4885

“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.