SCHEMBL6369641

SCHEMBL6369641

CC1CN=c2ccccc2=N1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL23889337 0.74 ADRA2A (0.34) HPGD
SCHEMBL3966028 0.69 NOS2 (0.32) NOS3NOS2TSHR
SCHEMBL13369836 0.68
SCHEMBL18661278 0.68
SCHEMBL13355549 0.65 NOS3 (0.32) NISCHNOS3NOS2
SCHEMBL13453320 0.65 NISCH (0.32) NISCHGLAHPGDTSHR
SCHEMBL13621430 0.65 NISCH (0.32) NISCHGLAHPGDTSHR
SCHEMBL13452964 0.65 NOS3 (0.32) NISCHNOS3NOS2
SCHEMBL10057749 0.65 NOS3 (0.32) NISCHNOS3NOS2
SCHEMBL13452968 0.65 NISCH (0.32) NISCHGLAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 US disclosed
EP-1448575-A1 LIGANDS FOR USE IN CATALYTIC PROCESSES Eidgenössische Technische Hochschule (ETH) Zürich (CH) 2004-08-25 EP disclosed
WO-2003048175-A1 LIGANDS FOR USE IN CATALYTIC PROCESSES EIDGENÖSSISCHE TECHNISCHE HOCHSCHULE ZÜRICH ETHZ (CH) 2003-06-12 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-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 NISCH 527/4885NOS3 4479/4885NOS2 4618/4885

“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.