SCHEMBL5096419

SCHEMBL5096419

CS(=O)(=O)NC1(Nc2nccc(-n3ncc4ccccc43)n2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNT1 O60563 2/20 0.51
CDK9 P50750 2/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
MAPK8 P45983 14/20 0.48
MAPK9 P45984 14/20 0.48
MAPK10 P53779 11/20 0.48
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
LRRK2 Q5S007 1/20 0.34
IDH1 O75874 1/20 0.34
KDR P35968 1/20 0.33
CYP2C9 P11712 1/20 0.32

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 0.81 MAPK8 (0.55) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL5094147 0.80 MAPK8 (0.56) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL3817313 0.75 MAPK8 (0.47) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL5096420 0.74 DDB1 (0.38) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL5095753 0.73 MAPK8 (0.72) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL5095751 0.73 MAPK8 (0.72) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL3814433 0.72 MAPK8 (0.50) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL3820942 0.72 CCNT1 (0.44) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL3823223 0.71 CDK1 (0.53) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL14193418 0.71 MAPK8 (0.79) CDK1CCNB1CCNT1CDK9CDK7

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 claimed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US claimed

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 CDK1 203/4885CCNB1 916/4885CCNT1 1924/4885

“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.