SCHEMBL10060158

SCHEMBL10060158

Cn1ncc(-n2cc(-c3cccc(S(N)(=O)=O)c3)cn2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
FLT3 P36888 1/20 0.42
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
CA9 Q16790 4/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
KCNH2 Q12809 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
CA7 P43166 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
LRRK2 Q5S007 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL10060113 0.89 KIF11 (0.46) CA9CA1CA2CA12MEN1
SCHEMBL14973305 0.78 TRPV1 (0.37) CA9CA1CA2CA12NPC1
SCHEMBL10058483 0.78 CA1 (0.47) CA9CA1CA2MEN1KMT2A
SCHEMBL14972931 0.77 CA9 (0.48) CA9CA1CA2CA12MEN1
SCHEMBL10060160 0.77 CA9 (0.47) CA9CA1CA2CA12MEN1
SCHEMBL10060112 0.76 ADRB2 (0.36) CA9CA1CA2CA12PTGES2
SCHEMBL14937463 0.75 CA9 (0.41) CA9CA1CA2CA12MEN1
SCHEMBL14972927 0.74 GRM5 (0.38) KCNH2PTGES2LOXL2TTKMAPK8
SCHEMBL14973101 0.74 PDE2A (0.38) ABL1BCRKCNH2
SCHEMBL14973176 0.73 TTK (0.36) CA9CA1CA2CA12KCNH2

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 NTRK1 1812/4885FLT3 3055/4885ABL1 4357/4885

“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.