SCHEMBL10399435

SCHEMBL10399435

CCc1cc(N)cc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.65
NOS3 P29474 6/20 0.65
NOS1 P29475 7/20 0.45
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL7274937 0.87 NOS2 (0.54) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL29739615 0.79 NOS2 (0.52) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL3552503 0.79 NOS2 (0.52) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL2623106 0.79 NOS2 (0.63) NOS2NOS3NOS1
SCHEMBL7049604 0.79 NOS2 (1.00) NOS2NOS3NOS1
SCHEMBL26241408 0.77 NOS3 (0.45) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL27465346 0.77 NOS3 (0.45) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL26241406 0.77 NOS3 (0.45) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL5865115 0.77 NOS3 (0.45) NOS2NOS3NOS1GRIN2DGRIN3B
SCHEMBL13789388 0.77 NOS2 (0.61) NOS2NOS3NOS1HRH3

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-4931487-A Chain extenders for polyurethanes DOW CHEMICAL COMPANY 1990-06-05 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS2 3160/4885NOS3 622/4885NOS1 3462/4885

“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.