SCHEMBL14973045

SCHEMBL14973045

Cn1ncc(-c2nc(-c3cccc(S(N)(=O)=O)c3)n[nH]2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 4/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
LRRK2 Q5S007 3/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CA1 P00915 1/20 0.34
PDE2A O00408 1/20 0.34
IKBKB O14920 1/20 0.34
ROCK2 O75116 1/20 0.34
GRK2 P25098 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
SCHEMBL14973104 0.86 CA9 (0.46) CA12CA2CA9CPT2CPT1A
SCHEMBL14973303 0.86 CA12 (0.39) TTKMAPK8CA12CA2CA9
SCHEMBL10060115 0.84 CA12 (0.39) TTKMAPK8CA12CA2CA9
SCHEMBL14973315 0.83 CA9 (0.46) CA12CA2CA9PDE4APDE4B
SCHEMBL14973125 0.83 CA2 (0.49) CA12CA2CA9CA1
SCHEMBL14973212 0.81 CA9 (0.37) TTKKDRCA12CA2CA9
SCHEMBL14973179 0.79 CA9 (0.46) CA12CA2CA9CPT2CPT1A
SCHEMBL14973289 0.78 STAT3 (0.41)
SCHEMBL14973301 0.77 CA9 (0.46) CA12CA2CA9CPT2CPT1A
SCHEMBL14973059 0.77 CA9 (0.45) CA12CA2CA9CA1

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 3 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

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 TTK 1588/4885KDR 4760/4885MAPK8 3081/4885

“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.