SCHEMBL3229137

SCHEMBL3229137

CCCc1cn(CCc2ccccn2)nn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
USP2 O75604 1/20 0.47
HDAC1 Q13547 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLS O94925 1/20 0.43
HRH3 Q9Y5N1 3/20 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
SCHEMBL3116064 0.82 HSD17B10 (0.42) HDAC1HSD17B10GLSHRH3
SCHEMBL29583126 0.80
SCHEMBL10527 0.80
SCHEMBL5021089 0.78 CYP19A1 (0.59) CYP19A1HRH3
Bromide SCHEMBL14801933 0.78 HRH1 (0.59) USP2HSD17B10HRH3
Iodide SCHEMBL22551708 0.78 HRH1 (0.59) USP2HSD17B10HRH3
Hydrochloric Acid SCHEMBL28050227 0.78 ALDH1A1 (0.62) USP2HRH3
SCHEMBL11564094 0.78 HRH1 (0.59) USP2HSD17B10HRH3
SCHEMBL30101413 0.78 HRH1 (0.59) USP2HRH3
Ammonia Solution, Strong SCHEMBL1509120 0.78 HRH1 (0.59) USP2HSD17B10HRH3

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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CYP19A1 1130/4885USP2 2134/4885HDAC1 176/4885

“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.