SCHEMBL5096582

SCHEMBL5096582

CSc1nccc(-n2ccc3c(O)cccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ROCK1 Q13464 13/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RPS6KA5 O75582 2/20 0.38
▸ TGFBR1 P36897 1/20 0.38

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) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL1163857 0.84 ROCK1 (0.40) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL11938728 0.84 ROCK1 (0.46) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL5096259 0.84 MAPT (0.44) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL14837506 0.84 ROCK1 (0.39) MAPTROCK1CDC7CDK2
SCHEMBL5096225 0.83 LOXL2 (0.43) ROCK1
SCHEMBL3817892 0.82 MAPK8 (0.38) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL5090451 0.82 ROCK1 (0.38) MAPTROCK1SMN1; SMN2
SCHEMBL5096812 0.82 ROCK1 (0.49) MAPTROCK1CDC7CDK2ALDH1A1
SCHEMBL14193120 0.81 ROCK1 (0.38) MAPTROCK1CDC7CDK2ALDH1A1

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 966/4885ROCK1 497/4885CDC7 298/4885

“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.

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