SCHEMBL16709124

SCHEMBL16709124

CC(C)(C)OC(=O)N1Cc2c(I)c(-c3ccc(F)c(Cl)c3)cn2C(CF)(CF)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDK9 P50750 1/20 0.34
APP P05067 1/20 0.33
CHRM3 P20309 5/20 0.33
RORC P51449 2/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
PAK1 Q13153 1/20 0.32
RET P07949 1/20 0.32
P2RX7 Q99572 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL16709120 0.88 CSNK1E (0.36) ALOX5APFEN1APPRORCCYP3A4
SCHEMBL16711541 0.87 BTK (0.36) RET
SCHEMBL16709116 0.83 KAT5 (0.35) APPKAT6AKAT5CYP3A4CYP3A5
SCHEMBL16709131 0.82 CSNK1E (0.36) RORCKAT5CYP3A4CYP3A5HDAC8
SCHEMBL16709129 0.76 CSNK1E (0.44)
SCHEMBL16709126 0.76 CNR1 (0.36) KAT6AKAT5CYP3A4CYP3A5P2RX7
SCHEMBL16711392 0.75 CSNK1E (0.40) RET
SCHEMBL16709119 0.75 KAT5 (0.35) RORCKAT6AKAT5CYP3A4CYP3A5
SCHEMBL16709101 0.74 CSNK1E (0.36) ALOX5APFEN1CDK9APPCYP3A4
SCHEMBL16711542 0.74 CSNK1E (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 ALOX5AP 4509/4885FEN1 2896/4885CDK9 107/4885

“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.