SCHEMBL16698462

SCHEMBL16698462

CC(C)(C)[Si](C)(C)OCC1CN(C(=O)O)Cc2c(C#N)c(-c3cccc(Cl)c3)nn21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.36
CSNK1D P48730 2/20 0.36
ADORA1 P30542 4/20 0.35
ADORA2A P29274 3/20 0.35
KCNK3 O14649 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2B P29275 2/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
USP30 Q70CQ3 3/20 0.34
ATM Q13315 1/20 0.33
BTK Q06187 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16730915 0.91 JAK2 (0.38) CSNK1ECSNK1DKCNK3MEN1KMT2A
SCHEMBL16700752 0.90 CSNK1E (0.45) CSNK1ECSNK1DADORA1ADORA2AKCNK3
SCHEMBL16700782 0.90 LMNA (0.35) CSNK1ECSNK1DKCNK3LMNAALDH1A1
SCHEMBL16700100 0.83 CSNK1E (0.43) CSNK1ECSNK1DUSP30BTK
SCHEMBL16711424 0.82 CSNK1E (0.44) CSNK1ECSNK1DKCNK3BTK
SCHEMBL16709012 0.81 SMN1; SMN2 (0.40) KCNK3MEN1KMT2AUSP30
SCHEMBL16699593 0.80 GRM5 (0.33) USP30CNR2
SCHEMBL16728817 0.80 JAK2 (0.40) CSNK1ECSNK1DKCNK3USP30LMNA
SCHEMBL16699030 0.80 CSNK1E (0.42) CSNK1ECSNK1DKCNK3
SCHEMBL16711428 0.74 CSNK1E (0.42) CSNK1ECSNK1DBTKCNR2

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 9 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-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US 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 (3 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 7/4885ADORA1 3797/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CSNK1E 1/4885CSNK1D 7/4885ADORA1 3797/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 CSNK1E 2/4885CSNK1D 6/4885ADORA1 2882/4885

“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.