SCHEMBL5093797

SCHEMBL5093797

CCCNC(=O)C1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.66
MAPK9 P45984 18/20 0.66
MAPK10 P53779 16/20 0.66
CDK2 P24941 5/20 0.49
CCNE1 P24864 4/20 0.49
CYP2C9 P11712 2/20 0.49
JUN P05412 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL14175723 0.90 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8195115 0.90 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5102745 0.90 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8195340 0.90 MAPK8 (0.62) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL3814504 0.88 MAPK8 (0.67) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8196491 0.88 MAPK8 (0.67) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5102560 0.88 MAPK8 (0.67) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL14175732 0.88 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8197149 0.88 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8195109 0.88 MAPK8 (0.64) MAPK8MAPK9MAPK10CDK2CCNE1

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 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.