SCHEMBL3346151

SCHEMBL3346151

CNC(=O)Cn1ncc2cc(C)c(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
KMO O15229 3/20 0.38
HSP90AB1 P08238 1/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
NLRP3 Q96P20 1/20 0.37
TSHR P16473 2/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOTUM Q6P988 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 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
SCHEMBL3341783 0.81 GRIN2B (0.42) KMO
SCHEMBL13727580 0.80 CHEK1 (0.54) RAB9AKMOHSP90AB1NPC1SMN1; SMN2
SCHEMBL13726783 0.80 KMO (0.48) RAB9AKMONPC1SMN1; SMN2MEN1
SCHEMBL20676287 0.78 KMO (0.60) RAB9AKMONPC1SMN1; SMN2MEN1
SCHEMBL31717403 0.76 TERT (0.40) KMOTSHRNOTUMALDH1A1
SCHEMBL1744676 0.76 RAB9A (0.39) RAB9AKMONPC1SMN1; SMN2MEN1
SCHEMBL3345161 0.76 HTR2A (0.41) KMOKDM4E
SCHEMBL15650578 0.75 RAB9A (0.42) RAB9AHSP90AB1SMN1; SMN2FPR1FPR2
SCHEMBL2594426 0.74 HTR2A (0.53) RAB9AKMONPC1SMN1; SMN2MEN1
SCHEMBL2589000 0.73 RAB9A (0.62) RAB9AKMONPC1SMN1; SMN2MEN1

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 RAB9A 1696/4885KMO 2960/4885HSP90AB1 2594/4885

“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.