SCHEMBL5317262

SCHEMBL5317262

CN(c1cc(-c2ccccc2)c(=O)n(C)c1)c1ccnc(NC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.39
▸ MAPK9 P45984 6/20 0.39
▸ JUN P05412 5/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CDK2 P24941 6/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL5264929 0.94 IRAK1 (0.41) MAPK8MAPK9JUNMAPK10MAPK14
SCHEMBL5914088 0.90 USP30 (0.46) MAPK14SYK
SCHEMBL5914092 0.88 KDR (0.33) MAPK8MAPK9JUNMAPK10MAPK14
SCHEMBL5914076 0.87 MAPK8 (0.40) MAPK8CDK2CCNA2CCNA1CCNB2
SCHEMBL3924389 0.84 MAPK8 (0.40) MAPK8MAPK9JUNMAPK10MAPK14
SCHEMBL5263292 0.80 MAPK8 (0.40) MAPK8MAPK9JUNMAPK10MAPK14
SCHEMBL5913989 0.79 AURKA (0.42) MAPK8MAPK9JUNMAPK10MAPK14
SCHEMBL5263693 0.76 KDR (0.37) MAPK14FGFR1KDREPHB4HDAC1
SCHEMBL5948116 0.75 USP30 (0.44) MAPK14SYK
SCHEMBL5914120 0.75 HTR7 (0.44) CDK2CCNA2KDR

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
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
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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