SCHEMBL10060113

SCHEMBL10060113

Cn1ncc(-n2cc(-c3ccc(S(N)(=O)=O)cc3)cn2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
PTGS2 P35354 6/20 0.42
PDPK1 O15530 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 1/20 0.39
PTGS1 P23219 1/20 0.38
CYP2C9 P11712 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
EP300 Q09472 2/20 0.38
OPRD1 P41143 1/20 0.37
P2RY14 Q15391 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL10060158 0.89 NTRK1 (0.42) PTGS2MEN1KMT2ACA12CA2
SCHEMBL14973101 0.77 PDE2A (0.38) EPHB4TEK
SCHEMBL10060110 0.76 CA2 (0.45) KIF11PTGS2MEN1KMT2ACA2
SCHEMBL14937930 0.75 MEN1 (0.41) KIF11PTGS2MEN1KMT2ACA12
SCHEMBL14973089 0.75 POLB (0.46) KIF11CA12CA2CA9CA1
SCHEMBL10060159 0.75 CA9 (0.46) KIF11CA12CA2CA9CA1
SCHEMBL10058843 0.74 S1PR1 (0.41) KIF11PTGS2PDPK1MEN1KMT2A
SCHEMBL14973162 0.73 MEN1 (0.46) PTGS2MEN1KMT2ACA12CA2
SCHEMBL10058991 0.73 PTGS2 (0.40) PTGS2PDPK1MEN1KMT2ACA12
SCHEMBL14973312 0.72 GRM5 (0.41) PTGS2CA12CA2CA9CA1

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 KIF11 2671/4885PTGS2 1113/4885PDPK1 541/4885

“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.