SCHEMBL30363752

SCHEMBL30363752

O=C(NC1CCNCC1)c1ccnc(-n2ccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD38 P28907 14/20 0.49
SMYD3 Q9H7B4 4/20 0.46
LRRK2 Q5S007 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
KHK P50053 1/20 0.43

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
SCHEMBL25135722 1.00 CD38 (0.49) CD38SMYD3LRRK2CYP2D6CYP2B6
Hydrochloric Acid SCHEMBL30363726 0.99 CD38 (0.48) CD38SMYD3LRRK2CYP2D6CYP2B6
SCHEMBL30364004 0.93 CD38 (0.53) CD38SMYD3LRRK2CYP2D6CYP2B6
SCHEMBL25135717 0.93 CD38 (0.53) CD38SMYD3LRRK2CYP2D6CYP2B6
Hydrochloric Acid SCHEMBL30363855 0.92 CD38 (0.52) CD38SMYD3LRRK2CYP2D6CYP2B6
SCHEMBL25135704 0.88 LRRK2 (0.47) CD38LRRK2CYP2D6CYP2B6CYP2C19
SCHEMBL25135727 0.88 CD38 (0.61) CD38LRRK2CYP2D6CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL30363932 0.87 LRRK2 (0.46) CD38LRRK2CYP2D6CYP2B6CYP2C19
SCHEMBL25135686 0.87 CD38 (0.48) CD38LRRK2
SCHEMBL25135666 0.87 CD38 (0.48) CD38LRRK2

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 1/4885SMYD3 2117/4885LRRK2 3181/4885

“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.