SCHEMBL5914082

SCHEMBL5914082

CC(Cc1cccc(CNC(=O)O)c1)Nc1nccc(N(C)c2ccnc(-c3ccc(F)cc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EGFR P00533 1/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL5914118 0.93 MAPK14 (0.42) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5914162 0.93 HPGDS (0.40) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5914169 0.93 HPGDS (0.40) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5315516 0.90 MAPK14 (0.38) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5914203 0.90 GRM2 (0.41) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5914202 0.90 GRM2 (0.41) MAPK14CYP1A2ALDH1A1CYP3A4MAPK1
SCHEMBL5913877 0.90 MAPK14 (0.38) MAPK14MAPK1KDR
SCHEMBL5913871 0.90 MAPK14 (0.38) MAPK14MAPK1KDR
SCHEMBL5314959 0.88 MAPK14 (0.40) MAPK14ALDH1A1KDR
SCHEMBL5314967 0.88 MAPK14 (0.40) MAPK14ALDH1A1KDR

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 2620/4885CYP1A2 1159/4885ALDH1A1 3019/4885

“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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