SCHEMBL5913896

SCHEMBL5913896

CC(N)C(=O)Nc1nccc(N(C)c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.46
▸ XIAP P98170 8/20 0.44
▸ AURKA O14965 1/20 0.43
▸ MAPK14 Q16539 2/20 0.41
▸ ADORA1 P30542 3/20 0.40
▸ KDR P35968 1/20 0.40
▸ BIRC2 Q13490 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL5913876 1.00 TAAR1 (0.46) TAAR1XIAPAURKAMAPK14ADORA1
SCHEMBL5914448 0.85 CIT (0.44) AURKAKDRALDH1A1USP2CYP1A2
SCHEMBL5913811 0.85 MAPK8 (0.42) AURKAMAPK14
SCHEMBL5913834 0.85 MAPK8 (0.42) AURKAMAPK14
SCHEMBL5264548 0.79 MAPK14 (0.47) AURKAMAPK14
SCHEMBL5914027 0.79 MAPK14 (0.44) AURKAMAPK14
SCHEMBL5914013 0.79 MAPK14 (0.44) AURKAMAPK14
SCHEMBL5914053 0.79 MAPK14 (0.44) AURKAMAPK14
SCHEMBL5914452 0.78 MAPK14 (0.41) AURKAMAPK14KDRALDH1A1USP2
SCHEMBL5913860 0.77 NPR3 (0.47) AURKAMAPK14ADORA1KDRADORA3

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 TAAR1 2950/4885XIAP 54/4885AURKA 2082/4885

“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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