SCHEMBL5913836

SCHEMBL5913836

CN(c1ccnc(Cl)n1)c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ IDH1 O75874 1/20 0.43
▸ IDH2 P48735 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ CCNA2 P20248 1/20 0.42

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
SCHEMBL5914305 0.86 MAPK14 (0.44) MAPK1MAPK14NOS1NOS2CDK2
SCHEMBL30000193 0.81 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1748523 0.81 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14190733 0.80 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL27227137 0.80 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL12367077 0.80 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14190850 0.79 ADORA2A (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5341690 0.79 USP30 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5399734 0.78 FAAH (0.47) USP30POLBGPR119
SCHEMBL3778502 0.78 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT

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 ALDH1A1 3019/4885NPC1 3865/4885MAPT 1/4885

“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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