SCHEMBL12166325

SCHEMBL12166325

CCCc1cccc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.51
NOS1 P29475 4/20 0.50
AXL P30530 2/20 0.50
METAP2 P50579 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
GLS O94925 1/20 0.42
TDO2 P48775 1/20 0.41
BRD4 O60885 1/20 0.40
MET P08581 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CDK2 P24941 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL29416223 1.00 IDO1 (0.51) IDO1NOS1AXLMETAP2JAK2
SCHEMBL21259457 0.87 IDO1 (0.46) IDO1NOS1AXLMETAP2GLS
SCHEMBL2633084 0.85 IDO1 (0.55) IDO1NOS1AXLMETAP2JAK2
SCHEMBL4686743 0.84 JAK2 (0.44) IDO1NOS1AXLMETAP2JAK2
SCHEMBL13554518 0.82 NOS1 (0.50) IDO1NOS1AXLMETAP2JAK2
SCHEMBL27663105 0.82 NOS1 (0.50) IDO1NOS1AXLMETAP2JAK2
Bromide SCHEMBL27530305 0.81 NOS1 (0.53) IDO1NOS1AXLMETAP2JAK2
SCHEMBL12272344 0.79 NOS1 (0.47) IDO1NOS1AXLMETAP2JAK2
Hydrochloric Acid SCHEMBL12491055 0.78 NOS1 (0.46) IDO1NOS1AXLMETAP2JAK2
SCHEMBL12272435 0.78 NOS1 (0.46) IDO1NOS1AXLMETAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP 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 (2 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-11192891-B2 Diazaspiro ROCK inhibitors ROCK1, MYLK, ROCK2 IDO1 431/4885NOS1 31/4885AXL 1039/4885
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS ROCK1, MYLK, ROCK2 IDO1 431/4885NOS1 31/4885AXL 1039/4885

“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.