SCHEMBL21164443

SCHEMBL21164443

CCc1cn(CSC)nn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.39
CYP19A1 P11511 5/20 0.38
NOTUM Q6P988 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GGPS1 O95749 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL23974875 0.81 GBA1 (0.47) GBA1CYP19A1HRH4HRH3
SCHEMBL24725728 0.79 CYP19A1 (0.35) GBA1CYP19A1NOTUMGGPS1ALOX5
SCHEMBL24023176 0.79
SCHEMBL9285404 0.79
SCHEMBL10065935 0.79 CYP19A1 (0.42) GBA1CYP19A1NOTUMHRH4GGPS1
SCHEMBL26699512 0.78 CYP19A1 (0.38) GBA1CYP19A1HRH4HRH3GGPS1
Ammonia Solution, Strong SCHEMBL28483640 0.77 CYP19A1 (0.41) GBA1CYP19A1NOTUM
SCHEMBL20243620 0.76 CYP19A1 (0.41) GBA1CYP19A1NOTUMHRH4HRH3
SCHEMBL255017 0.76 GBA1 (0.41) GBA1CYP19A1NOTUM
SCHEMBL13030153 0.75 ALOX5 (0.59) CYP19A1HRH4ALOX5

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-10351626-B2 Targeting agent antibody conjugates and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-16 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-10351626-B2 Targeting agent antibody conjugates and uses thereof FCGR2A, CD22, FCGR3B GBA1 1234/4885CYP19A1 4589/4885NOTUM 2706/4885

“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.