SCHEMBL5913811

SCHEMBL5913811

C[C@H](N)C(=O)NC1CCC(Nc2nccc(N(C)c3ccnc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MELK Q14680 6/20 0.40
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ CCNE1 P24864 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MCHR1 Q99705 7/20 0.38
▸ ADRA2A P08913 5/20 0.38
▸ CCNE2 O96020 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ FASN P49327 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA1A P35348 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
SCHEMBL5913834 1.00 MAPK8 (0.42) MAPK8MAPK14MELKMAPK9MAPK10
SCHEMBL5266019 0.87 MAPK8 (0.54) MAPK8MAPK14MAPK9MAPK10CCNE1
SCHEMBL5913876 0.85 TAAR1 (0.46) MAPK14AURKA
SCHEMBL5913896 0.85 TAAR1 (0.46) MAPK14AURKA
SCHEMBL5913964 0.82 MAPK8 (0.44) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL5914206 0.81 MAPK8 (0.41) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL5914214 0.81 MAPK8 (0.41) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL5913954 0.80 MCHR1 (0.52) MAPK8MAPK14MCHR1ADRA2AAURKB
SCHEMBL5913945 0.80 MCHR1 (0.52) MAPK8MAPK14MCHR1ADRA2AAURKB
SCHEMBL5914425 0.79 IKBKB (0.47) MAPK8MAPK14CDK2CYP2C9CCNA2

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 1760/4885MAPK14 2620/4885MELK 308/4885

“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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