SCHEMBL24499985

SCHEMBL24499985

CCCC(CCC)c1cc2nc(NC)nc(N)c2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL24500647 0.82 NPY5R (0.32) NOS1NPY5R
SCHEMBL24500012 0.81 DHFR (0.37) NOS1NPY5R
SCHEMBL22601387 0.73 NPY5R (0.39) NOS1NPY5R
SCHEMBL29385342 0.56 PDPK1 (0.59)
SCHEMBL22931310 0.56 DRD2 (0.49)
SCHEMBL9119 0.56 PDPK1 (0.59)
SCHEMBL474962 0.56 NOS1 (0.37) NOS1
SCHEMBL6978694 0.55 NPC1 (0.64)
SCHEMBL3742429 0.54 TDP1 (0.41) NOS1
SCHEMBL2773009 0.54 NOS1 (0.36) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 NOS1 2468/4885NPY5R 3939/4885

“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.