SCHEMBL23948694

SCHEMBL23948694

Cc1c(-c2ccnc(C(C)C)c2C)ccnc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31
UHRF1 Q96T88 1/20 0.31
GRM4 Q14833 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL24613098 0.85 PDE3B (0.32) NOS3NOS2
SCHEMBL12895997 0.81 NOS2 (0.48) NOS3NOS2CCR1CCR5CCR8
SCHEMBL10105612 0.79 NOS3 (0.32) NOS3NOS2CCR1CCR5CCR8
SCHEMBL21540038 0.78 NUDT1 (0.45)
SCHEMBL20285913 0.77 TDO2 (0.33) NOS3NOS2
SCHEMBL14803298 0.77 TRPA1 (0.33) NOS3NOS2
SCHEMBL25927976 0.77 PRKCI (0.31) NOS3NOS2
SCHEMBL24691977 0.74 ROCK2 (0.33)
SCHEMBL24691979 0.74 NOS3 (0.33) NOS3NOS2
SCHEMBL19203777 0.74 ACHE (0.36) CCR1CCR5CCR8

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-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 NOS3 2901/4885NOS2 2386/4885CCR1 286/4885

“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.