SCHEMBL1744676

SCHEMBL1744676

CNC(=O)Cn1ncc2cc(C)[c]cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4D Q08499 1/20 0.36
KMO O15229 2/20 0.35
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NLRP3 Q96P20 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK8 P45983 1/20 0.33
BRD4 O60885 1/20 0.33
NOTUM Q6P988 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
SCHEMBL1746192 0.81 GRIN2B (0.41) TSHRKMOPOLBHSD17B10GRIN2B
SCHEMBL20719072 0.76 NOTUM (0.35) KMONOTUM
SCHEMBL3346151 0.76 RAB9A (0.39) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2
SCHEMBL1225475 0.76 KMO (0.38) KMT2AKMOHSD17B10
SCHEMBL20676287 0.75 KMO (0.60) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2
SCHEMBL13727580 0.74 CHEK1 (0.54) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2
SCHEMBL2589000 0.73 RAB9A (0.62) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2
SCHEMBL3346147 0.72 RAB9A (0.39) RAB9AMAPK8
SCHEMBL13726783 0.71 KMO (0.48) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2
SCHEMBL2594426 0.71 HTR2A (0.53) RAB9ATSHRL3MBTL1NPC1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO 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 1696/4885TSHR 526/4885L3MBTL1 4513/4885

“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.