SCHEMBL30363646

SCHEMBL30363646

O=C(NC1CCC(C(F)F)CC1)c1ccnc(-c2cncs2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 16/20 0.43
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TNKS O95271 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
SCHEMBL29182226 1.00 CD38 (0.43) CD38CYP2D6CYP2B6CYP2C19IRAK4
SCHEMBL25136104 1.00 CD38 (0.43) CD38CYP2D6CYP2B6CYP2C19IRAK4
SCHEMBL30363778 0.86 CD38 (0.53) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL25136045 0.86 CD38 (0.53) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL29182183 0.86 CD38 (0.53) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL25135938 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL29182213 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL30363702 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP2C19TNKS
SCHEMBL25135933 0.83 CD38 (0.56) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL29182287 0.83 CD38 (0.56) CD38CYP2D6CYP2B6CYP2C19

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885CYP2D6 1605/4885CYP2B6 2184/4885

“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.