SCHEMBL4816792

SCHEMBL4816792

O=C1CCc2cc(Cn3nccn3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSD17B1 P14061 3/20 0.44
CYP19A1 P11511 2/20 0.41
HRH3 Q9Y5N1 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
GRM5 P41594 1/20 0.39
PGR P06401 1/20 0.38
MET P08581 1/20 0.37
GRM1 Q13255 1/20 0.37
MAOB P27338 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4817612 0.88 PBRM1 (0.45) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4817540 0.80 HTT (0.47) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4816833 0.78 CYP19A1 (0.47) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL2347295 0.77 CYP17A1 (0.60) CYP11B1CYP11B2CYP19A1
SCHEMBL4815195 0.77 CYP19A1 (0.50) CASP1CASP7HSD17B10HSD17B1CYP19A1
SCHEMBL4821094 0.74 CHKA (0.49) CASP1CASP7HSD17B10HRH3
SCHEMBL7844959 0.74 KMT2A (0.54) CASP1CASP7HSD17B10GRM5
SCHEMBL4815757 0.74 KDM4E (0.50) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4815233 0.74 HSD17B1 (0.41) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4805957 0.73 CASP1 (0.53) CYP1A2CYP11B1CYP11B2CASP1CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CYP1A2 2708/4885CYP11B1 1952/4885CYP11B2 1938/4885

“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.