SCHEMBL14973237

SCHEMBL14973237

CNc1cc(-c2noc(-c3cnn(C)c3COc3ccc(C(F)(F)F)cc3)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
S1PR1 P21453 4/20 0.40
GSK3B P49841 3/20 0.40
S1PR3 Q99500 2/20 0.40
STAT3 P40763 1/20 0.40
SMPD1 P17405 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL14973070 0.89 BRAF (0.42) GSK3BSTAT3SMPD1SPHK2
SCHEMBL14973360 0.89 S1PR1 (0.46) KCNT1HDAC1HDAC8HDAC6GRM2
SCHEMBL14973380 0.88 S1PR1 (0.46) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL14973077 0.88 S1PR1 (0.55) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL14973239 0.88 SMPD1 (0.41) HDAC1HDAC8HDAC6S1PR1STAT3
SCHEMBL14973025 0.87 S1PR1 (0.46) S1PR1S1PR3SMPD1
SCHEMBL14973366 0.87 HDAC6 (0.47) KCNT1HDAC1HDAC8HDAC6GRM2
SCHEMBL14973124 0.84 CHUK (0.47) S1PR1STAT3SMPD1NR1H4
SCHEMBL14973120 0.84 S1PR1 (0.46) S1PR1S1PR3SMPD1SPHK2
SCHEMBL14973268 0.83 NR1H4 (0.45) S1PR1STAT3NR1H4

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 KCNT1 1503/4885HDAC1 239/4885HDAC8 1570/4885

“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.