SCHEMBL14973240

SCHEMBL14973240

Cn1ncc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
STAT3 P40763 2/20 0.44
GABRA5 P31644 1/20 0.40
PTGS2 P35354 7/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 2/20 0.39
ADAMTS4 O75173 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR1 P21453 1/20 0.37
PLAT P00750 1/20 0.37
CHUK O15111 1/20 0.37
TXNRD1 Q16881 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL14972950 0.92 S1PR1 (0.46) POLBGABRA5ADAMTS4S1PR1CHUK
SCHEMBL14973020 0.90 S1PR1 (0.45) POLBSTAT3GABRA5MEN1KMT2A
SCHEMBL14973280 0.90 POLB (0.40) POLBSTAT3GABRA5PTGS2MEN1
SCHEMBL14973314 0.89 PTGS2 (0.41) POLBSTAT3GABRA5PTGS2MEN1
SCHEMBL15150659 0.87 POLB (0.40) POLBSTAT3GABRA5ADAMTS4KDM4E
SCHEMBL15150652 0.86 GABRA5 (0.39) POLBSTAT3GABRA5KDM4ENPC1
SCHEMBL14984863 0.86 HDAC1 (0.43) POLBGABRA5HSD11B1KDM4ENPC1
SCHEMBL14973342 0.85 GABRA5 (0.41) POLBGABRA5KDM4ENPC1HSP90AA1
SCHEMBL14973234 0.84 PLAT (0.39) POLBSTAT3GABRA5KDM4ENPC1
SCHEMBL14973059 0.84 CA9 (0.45) POLBGABRA5MEN1KMT2AS1PR1

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 POLB 3540/4885STAT3 694/4885GABRA5 22/4885

“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.