SCHEMBL5914452

SCHEMBL5914452

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.41
▸ ELANE P08246 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AURKA O14965 1/20 0.39
▸ NPR3 P17342 1/20 0.39
▸ TPH1 P17752 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HPGDS O60760 3/20 0.38
▸ KDR P35968 1/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL5261647 0.92 NPR3 (0.47) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5913860 0.92 NPR3 (0.47) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914383 0.90 MAPK14 (0.45) MAPK14ELANEAURKANPR3
SCHEMBL5264550 0.89 GAA (0.41) MAPK14ELANEUSP2ALDH1A1CYP1A2
SCHEMBL5913824 0.89 MAPK14 (0.41) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5913842 0.89 MAPK14 (0.41) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5264545 0.89 GAA (0.41) MAPK14ELANEUSP2ALDH1A1CYP1A2
SCHEMBL5914448 0.84 CIT (0.44) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5913869 0.84 MAPK14 (0.38) MAPK14USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5914170 0.83 ALDH1A1 (0.38) 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 2620/4885ELANE 2515/4885USP2 2383/4885

“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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