SCHEMBL16699714

SCHEMBL16699714

O=C(O)N1Cc2c(I)c(-c3ccc(F)c(Cl)c3)nn2C(CF)(CF)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 6/20 0.36
CSNK1D P48730 5/20 0.36
MARS1 P56192 1/20 0.34
GRIN2B Q13224 4/20 0.34
UGCG Q16739 1/20 0.33
KMO O15229 2/20 0.33
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 2/20 0.33
SSTR5 P35346 2/20 0.32
MPL P40238 1/20 0.32
MDM2 Q00987 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
SCHEMBL16700995 0.87 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16709131 0.86 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL16699357 0.86 CSNK1E (0.41) CSNK1ECSNK1DTGFBR1TGFBR2
SCHEMBL16700445 0.83 CSNK1E (0.36) CSNK1ECSNK1DMARS1GRIN2BUGCG
SCHEMBL16700054 0.79 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16699487 0.79 KMO (0.39) MARS1GRIN2BKMOMDM2
SCHEMBL16709129 0.74 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16711513 0.74 CSNK1E (0.56) CSNK1ECSNK1D
SCHEMBL16699092 0.74 CSNK1E (0.55) CSNK1ECSNK1DMARS1GRIN2BUGCG
SCHEMBL16711392 0.73 CSNK1E (0.40) CSNK1ECSNK1D

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 CSNK1E 1/4885CSNK1D 7/4885MARS1 2807/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CSNK1E 1/4885CSNK1D 7/4885MARS1 2807/4885

“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.