SCHEMBL5094147

SCHEMBL5094147

OC1(Nc2nccc(-n3ncc4ccccc43)n2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.56
MAPK9 P45984 13/20 0.56
MAPK10 P53779 11/20 0.56
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
CCNT1 O60563 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK9 P50750 2/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
LRRK2 Q5S007 1/20 0.38
CYP2C9 P11712 2/20 0.36
LCK P06239 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
SCHEMBL14768386 0.87 MAPK8 (0.55) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL3809069 0.84 MAPK8 (0.41) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL3810254 0.83 MAPK8 (0.39) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5094111 0.80 MAPK8 (0.56) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL5096419 0.80 CDK1 (0.51) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL3817313 0.79 MAPK8 (0.47) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL3814433 0.77 MAPK8 (0.50) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL4440166 0.76 MAPK8 (0.39) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL14193418 0.76 MAPK8 (0.79) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL8190587 0.76 MAPK8 (0.73) 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 3 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 claimed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US claimed
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

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.