SCHEMBL5096259

SCHEMBL5096259

CSc1nccc(-n2ccc3c(F)cccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 13/20 0.43
CDC7 O00311 3/20 0.40
CDK2 P24941 3/20 0.40
RPS6KA5 O75582 2/20 0.38
TGFBR1 P36897 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL5102138 0.85 ROCK1 (0.41) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1163857 0.84 ROCK1 (0.40) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL11938728 0.84 ROCK1 (0.46) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5096582 0.84 MAPT (0.41) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5096812 0.82 ROCK1 (0.49) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL20357981 0.81 ROCK1 (0.62) ROCK1CDC7CDK2
SCHEMBL14193120 0.81 ROCK1 (0.38) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5102547 0.81 ROCK1 (0.43) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5090479 0.81 ROCK1 (0.38) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5096225 0.81 LOXL2 (0.43) ROCK1

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 MAPT 966/4885ALDH1A1 4206/4885LMNA 4290/4885

“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.