SCHEMBL5913871

SCHEMBL5913871

C[C@@H](Cc1cccc(CNC(=O)O)c1)Nc1nccc(N(C)c2ccnc(-c3ccc(F)cc3F)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.38
▸ CCNT1 O60563 3/20 0.36
▸ CCNA2 P20248 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CCNA1 P78396 3/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL5913877 1.00 MAPK14 (0.38) MAPK14CCNT1CCNA2CDK2CDK9
SCHEMBL5314959 0.92 MAPK14 (0.40) MAPK14KDR
SCHEMBL5314967 0.92 MAPK14 (0.40) MAPK14KDR
SCHEMBL5914082 0.90 MAPK14 (0.39) MAPK14MAPK1KDR
SCHEMBL5914162 0.89 HPGDS (0.40) MAPK14MAPK1KDM5AKDM4CKDM5B
SCHEMBL5914169 0.89 HPGDS (0.40) MAPK14MAPK1KDM5AKDM4CKDM5B
SCHEMBL5914118 0.86 MAPK14 (0.42) MAPK14MAPK1KDR
SCHEMBL5914204 0.84 MAPK14 (0.38) MAPK14KDR
SCHEMBL5914210 0.84 MAPK14 (0.38) MAPK14KDR
SCHEMBL5264280 0.82 MAPK14 (0.40) MAPK14MAPK1KDR

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 MAPK14 2620/4885CCNT1 369/4885CCNA2 2516/4885

“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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