SCHEMBL5913964

SCHEMBL5913964

CC(=O)N1CCC(Nc2nccc(N(C)c3ccnc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.44
▸ MAPK9 P45984 4/20 0.44
▸ JUN P05412 3/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CDK2 P24941 5/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 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
SCHEMBL5914134 0.89 MAPK8 (0.44) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5914219 0.86 VCP (0.48) MAPK1TP53ALOX15CASP1CASP7
SCHEMBL5266019 0.86 MAPK8 (0.54) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5914214 0.85 MAPK8 (0.41) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5914206 0.85 MAPK8 (0.41) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5913810 0.82 MAPK8 (0.48) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5913811 0.82 MAPK8 (0.42) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5913834 0.82 MAPK8 (0.42) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5914425 0.81 IKBKB (0.47) MAPK8TP53HSD17B10CDK2CDK1
SCHEMBL5264825 0.81 MAPK14 (0.43) MAPK8MAPK9JUNMAPK10TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPK8 1760/4885MAPK9 2753/4885JUN 1058/4885

“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.

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