SCHEMBL5090208

SCHEMBL5090208

Nc1ccc2cnn(-c3ccnc(N[C@H]4CC[C@H](O)CC4)n3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.73
MAPK9 P45984 13/20 0.73
MAPK10 P53779 11/20 0.73
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CYP2C9 P11712 1/20 0.54
MKNK1 Q9BUB5 5/20 0.50
MKNK2 Q9HBH9 5/20 0.50
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL3805465 1.00 MAPK8 (0.73) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL3814615 0.87 MAPK8 (0.73) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5093840 0.87 MAPK8 (0.73) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL3814586 0.85 MAPK8 (0.70) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5094240 0.85 MAPK8 (0.70) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5095917 0.85 MAPK8 (0.69) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5095921 0.85 MAPK8 (0.69) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5102042 0.85 MAPK8 (0.69) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5096365 0.85 MAPK10 (0.69) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5096369 0.85 MAPK10 (0.69) MAPK8MAPK9MAPK10CCNE1CDK2

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.