Sugi Predict

Sugi Predict / Compounds / SCHEMBL5096167

SCHEMBL5096167

SCHEMBL5096167

OCc1ccc2c(ccn2-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.70
▸ MAPK9 P45984 10/20 0.70
▸ MAPK10 P53779 7/20 0.70
▸ MKNK1 Q9BUB5 5/20 0.54
▸ MKNK2 Q9HBH9 5/20 0.54
▸ CDK2 P24941 2/20 0.48
▸ JUN P05412 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CCNE1 P24864 1/20 0.48

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
SCHEMBL5090524 1.00 MAPK8 (0.70) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5093805 0.86 MAPK8 (0.74) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL3826197 0.86 MAPK8 (0.74) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5102147 0.85 MAPK8 (0.72) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5094292 0.85 MAPK8 (0.72) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5095730 0.85 MAPK8 (0.72) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5094025 0.85 MAPK8 (0.72) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5102632 0.82 MAPK8 (0.69) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5090506 0.82 MAPK8 (0.69) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5102029 0.82 MAPK8 (0.69) MAPK8MAPK9MAPK10MKNK1MKNK2

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 8 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
WO-2008068171-A9 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2009-07-16 — — WO 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
WO-2008068171-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — WO 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.