SCHEMBL19360159

SCHEMBL19360159

CC(C)(C)c1nc2c(c(C(C)(C)C)n1)N1CCCC1CC2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 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
SCHEMBL19360165 0.96 NOS3 (0.33) NOS3NOS1
SCHEMBL19360188 0.77 NOS3 (0.37) NOS3NOS1
SCHEMBL19360168 0.73 HTR2A (0.35) NOS3NOS1
SCHEMBL19362224 0.70 NOS3 (0.41) NOS3NOS1
SCHEMBL25626270 0.69 NOS3 (0.32) NOS3NOS1
SCHEMBL19360178 0.68 MEN1 (0.30) —
SCHEMBL19360166 0.68 JUN (0.30) —
SCHEMBL19362225 0.67 HTR2A (0.33) NOS3NOS1
SCHEMBL19362453 0.66 NOS3 (0.36) NOS3NOS1
SCHEMBL19360169 0.64 HIF1A (0.33) —

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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 — — US disclosed
US-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 — — 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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX PSMG3, PSME1, PSMB3 NOS3 4666/4885NOS1 4833/4885

“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.

Send feedback