SCHEMBL14973019

SCHEMBL14973019

Cn1ncc(-c2nc(-c3cccc(S(N)(=O)=O)c3)no2)c1COc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.47
CA2 P00918 9/20 0.47
CA1 P00915 7/20 0.47
CA12 O43570 5/20 0.47
CA4 P22748 1/20 0.43
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CA13 Q8N1Q1 2/20 0.38
MAOB P27338 1/20 0.38
S1PR1 P21453 7/20 0.38
CPT2 P23786 1/20 0.36
CPT1A P50416 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
SCHEMBL14973053 0.91 CA9 (0.48) CA9CA2CA1CA12CA4
SCHEMBL14972916 0.90 CA9 (0.49) CA9CA2CA1CA12CA4
SCHEMBL14973206 0.90 CA4 (0.49) CA9CA2CA1CA12CA4
SCHEMBL10058721 0.90 CA9 (0.48) CA9CA2CA1CA12CA4
SCHEMBL14973031 0.90 S1PR1 (0.44) CA9CA2CA1CA12S1PR1
SCHEMBL14972974 0.89 CA9 (0.48) CA9CA2CA1CA12CA4
SCHEMBL10060107 0.88 CA9 (0.47) CA9CA2CA1CA12CA4
SCHEMBL14972998 0.88 CA9 (0.51) CA9CA2CA1CA12CA4
SCHEMBL14973059 0.88 CA9 (0.45) CA9CA2CA1CA12CA4
SCHEMBL14973093 0.88 CA9 (0.45) CA9CA2CA1CA12CA4

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
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A CA9 4504/4885CA2 2244/4885CA1 1915/4885

“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.