SCHEMBL10060110

SCHEMBL10060110

Cn1ncc(-c2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.45
CA1 P00915 11/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIF11 P52732 1/20 0.43
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10058483 0.89 CA1 (0.47) CA2CA1MAOAMAOBKDM4E
SCHEMBL14973089 0.85 POLB (0.46) CA2CA1KDM4EKIF11POLB
SCHEMBL14972940 0.85 CA2 (0.47) CA2CA1MAOAMAOBKDM4E
SCHEMBL10060159 0.85 CA9 (0.46) CA2CA1KIF11POLB
SCHEMBL10058843 0.84 S1PR1 (0.41) CA2CA1MEN1KMT2AKIF11
SCHEMBL14973183 0.82 CA2 (0.49) CA2CA1MAOAMAOBKDM4E
SCHEMBL14972931 0.77 CA9 (0.48) CA2CA1MEN1KMT2APOLB
SCHEMBL10060112 0.76 ADRB2 (0.36) CA2CA1PTGS2
SCHEMBL10060113 0.76 KIF11 (0.46) CA2CA1MEN1KMT2AKIF11
SCHEMBL10058991 0.76 PTGS2 (0.40) CA2CA1MEN1KMT2APTGS2

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 5 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
WO-2012020820-A1 HETEROARYL-PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-02-16 WO 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 CA2 2244/4885CA1 1915/4885MAOA 1641/4885

“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.