SCHEMBL19251245

SCHEMBL19251245

CCCCCCCC(C)(CCCCCC)c1cnc(N)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
CNR1 P21554 6/20 0.35
NOS1 P29475 1/20 0.35
TLR8 Q9NR97 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NUDT1 P36639 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
DHFR P00374 2/20 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
SCHEMBL19245805 1.00 CNR2 (0.35) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL22752353 1.00 CNR2 (0.35) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL20243849 0.98 CNR2 (0.35) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL19251098 0.98 CNR2 (0.35) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL23957925 0.98 NUDT1 (0.34) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL21431386 0.97 CNR2 (0.34) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL20017163 0.96 NUDT1 (0.33) CNR2CNR1NOS1TLR8KDM4E
SCHEMBL18935597 0.93 CNR2 (0.34) CNR2CNR1TLR8KDM4EMEN1
SCHEMBL22752538 0.91 NUDT1 (0.33) CNR2CNR1TLR8KDM4EMEN1
SCHEMBL19251008 0.89 NUDT1 (0.33) TLR8NUDT1TLR7

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4524/4885CNR1 4239/4885NOS1 2591/4885

“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.