SCHEMBL16711541

SCHEMBL16711541

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
CSNK1E P49674 3/20 0.35
RET P07949 8/20 0.35
GPR119 Q8TDV5 3/20 0.34
CSNK1D P48730 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33

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
SCHEMBL16709124 0.87 ALOX5AP (0.35) RET
SCHEMBL16709120 0.85 CSNK1E (0.36) CSNK1ERETCSNK1DJAK2JAK1
SCHEMBL16711392 0.83 CSNK1E (0.40) CSNK1ERETGPR119CSNK1DNR1H2
SCHEMBL16709116 0.81 KAT5 (0.35) RETGPR119NR1H2NR1H3
SCHEMBL16709131 0.75 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL16709129 0.74 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16709126 0.74 CNR1 (0.36)
SCHEMBL16709119 0.73 KAT5 (0.35) RETGPR119NR1H2NR1H3
SCHEMBL16711421 0.73 CSNK1E (0.39) CSNK1EGPR119CSNK1DNR1H2NR1H3
SCHEMBL16709101 0.72 CSNK1E (0.36) CSNK1EGPR119CSNK1D

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 1 patent. 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

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 BTK 1624/4885CSNK1E 1/4885RET 913/4885

“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.