Sugi Predict

Sugi Predict / Compounds / SCHEMBL5095741

SCHEMBL5095741

SCHEMBL5095741

CSc1nccc(-n2ncc3c(Br)cccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.39
▸ MAPK9 P45984 5/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP17A1 P05093 4/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ RPS6KA5 O75582 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ CDK7 P50613 1/20 0.33
▸ CCNH P51946 1/20 0.33

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
SCHEMBL17683293 0.82 MAPK8 (0.56) MAPK8MAPK9MAPK10ALDH1A1LMNA
SCHEMBL3824181 0.80 MKNK1 (0.48) MAPK8MAPK9MAPK10ALDH1A1LMNA
SCHEMBL1163857 0.79 ROCK1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5102668 0.77 MAPK8 (0.48) MAPK8MAPK9MAPK10ALDH1A1LMNA
SCHEMBL3821081 0.76 ALDH1A1 (0.39) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5102554 0.76 SMN1; SMN2 (0.36) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL1164180 0.73 MAPK8 (0.66) MAPK8MAPK9MAPK10
SCHEMBL5102742 0.71 IRAK4 (0.46) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5096332 0.71 ROCK1 (0.42) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5090482 0.70 IRAK4 (0.52) IRAK4

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 6 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-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-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
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 — — 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 MAPK8 40/4885MAPK9 43/4885MAPK10 31/4885

“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.