SCHEMBL10248982

SCHEMBL10248982

CCS(=O)(=O)c1cnccc1-c1nc2cc(C)ccc2n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.47
CYP11B1 P15538 9/20 0.47
CNR2 P34972 1/20 0.47
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
CYP3A4 P08684 1/20 0.39
MCHR1 Q99705 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL10252540 0.89 CYP11B2 (0.49) CYP11B2CYP11B1CNR2PRKACARPS6KB1
SCHEMBL168857 0.87 HTR2B (0.58) CYP11B2CYP11B1CNR2HTR2BHTR6
SCHEMBL10249057 0.83 SMN1; SMN2 (0.42) RPS6KA5
SCHEMBL10248893 0.80 CYP11B2 (0.62) CYP11B2CYP11B1HTR2BHTR6CYP3A4
SCHEMBL10248916 0.80 CYP11B2 (0.48) CYP11B2CYP11B1PRKACARPS6KB1GSK3B
SCHEMBL10248923 0.78 CYP11B2 (0.47) CYP11B2CYP11B1CNR2PRKACARPS6KB1
SCHEMBL10248895 0.78 CYP11B2 (0.51) CYP11B2CYP11B1PRKACARPS6KB1GSK3B
SCHEMBL169054 0.76 HTR2B (0.60) CYP11B2CYP11B1HTR2BHTR6CYP3A4
SCHEMBL10249002 0.76 CYP11B2 (0.49) CYP11B2CYP11B1PRKACARPS6KB1GSK3B
SCHEMBL10248950 0.71 SMN1; SMN2 (0.43) RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CYP11B2 611/4885CYP11B1 491/4885CNR2 55/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CYP11B2 611/4885CYP11B1 491/4885CNR2 55/4885

“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.