SCHEMBL5913869

SCHEMBL5913869

CN(c1ccnc(N[C@H](CNCC(N)=O)Cc2ccccc2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDR P35968 6/20 0.36
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 1/20 0.34
▸ TPH1 P17752 1/20 0.33

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
SCHEMBL5914397 0.86 ALDH1A1 (0.34) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914432 0.85 MMP2 (0.42) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914435 0.85 MMP2 (0.42) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5263844 0.85 PPARG (0.38) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914452 0.84 MAPK14 (0.41) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914170 0.83 ALDH1A1 (0.38) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914396 0.83 KDM4E (0.42) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5263857 0.83 MAPK14 (0.36) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914336 0.83 CYP1A2 (0.38) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914274 0.82 MAPK14 (0.37) MAPK14USP2ALDH1A1CYP1A2CYP3A4

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 2 patents. 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 claimed
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 2620/4885USP2 2383/4885ALDH1A1 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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