SCHEMBL25948856

SCHEMBL25948856

Cc1cc(C)c2ncc(C)n2c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
IKBKB O14920 1/20 0.31

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
SCHEMBL25730232 0.84 NOS3 (0.32) NOS3NOS1NOS2L3MBTL1
SCHEMBL25526799 0.80 PDE10A (0.34) L3MBTL1
SCHEMBL27399729 0.80 L3MBTL1 (0.37) NOS3NOS1NOS2L3MBTL1IKBKB
SCHEMBL23029845 0.80 PDE10A (0.32) L3MBTL1
SCHEMBL19781524 0.80 L3MBTL1 (0.49) L3MBTL1
SCHEMBL25730238 0.77 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL25730233 0.74
SCHEMBL23029802 0.71 FYN (0.34)
SCHEMBL11477117 0.71 KDM4E (0.54) L3MBTL1
SCHEMBL25149773 0.71 ATM (0.41) L3MBTL1

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-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2023-08-03 US disclosed
WO-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO 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-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF ATR, CHEK1, CHEK2 NOS3 3295/4885NOS1 2924/4885NOS2 3728/4885

“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.