SCHEMBL16699487

SCHEMBL16699487

O=C(O)N1Cc2cc(-c3ccc(F)c(Cl)c3)nn2C(CF)(CF)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
CASP1 P29466 1/20 0.36
MDM2 Q00987 1/20 0.35
GRIN2B Q13224 6/20 0.35
ABL1 P00519 1/20 0.34
MARS1 P56192 1/20 0.34
MAPT P10636 1/20 0.34
RPA1 P27694 1/20 0.33
CNR2 P34972 1/20 0.33
FYN P06241 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
PGR P06401 1/20 0.33
CTSA P10619 1/20 0.33
EIF4E P06730 1/20 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
SCHEMBL16700422 0.92 KMO (0.39) KMOCASP1MDM2GRIN2BABL1
SCHEMBL16709126 0.86 CNR1 (0.36) MAPTCNR2
SCHEMBL16700410 0.82 KMO (0.38) KMOCASP1MDM2GRIN2BABL1
SCHEMBL16700136 0.81 MEN1 (0.35) KMOMDM2MAPTCTSA
SCHEMBL16699714 0.79 CSNK1E (0.36) KMOMDM2GRIN2BMARS1
SCHEMBL16709125 0.78 CNR1 (0.36) MAPTCNR2
SCHEMBL16700995 0.77 CSNK1E (0.44)
SCHEMBL16699357 0.77 CSNK1E (0.41)
SCHEMBL16699580 0.73 KMO (0.39) KMOCASP1MDM2GRIN2BABL1
SCHEMBL16709123 0.72 KAT5 (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068785-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO 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 (2 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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 KMO 2351/4885CASP1 1485/4885MDM2 1297/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 KMO 2351/4885CASP1 1485/4885MDM2 1297/4885

“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.