SCHEMBL16699580

SCHEMBL16699580

O=CC1CN(C(=O)O)Cc2cc(-c3ccc(F)c(Cl)c3)nn21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
CASP1 P29466 1/20 0.36
CSNK1E P49674 2/20 0.36
CSNK1D P48730 1/20 0.36
GRIN2B Q13224 3/20 0.36
GRM2 Q14416 1/20 0.35
FYN P06241 1/20 0.35
EGFR P00533 2/20 0.34
ABL1 P00519 1/20 0.34
MARS1 P56192 1/20 0.34
MAPT P10636 1/20 0.34
MDM2 Q00987 1/20 0.33
RPA1 P27694 1/20 0.33
BTK Q06187 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CNR2 P34972 1/20 0.33
CHRM3 P20309 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
SCHEMBL16709122 0.86 CNR1 (0.38) CSNK1EMAPTUSP30CNR2
SCHEMBL16700318 0.83 CSNK1E (0.46) KMOCASP1CSNK1ECSNK1DGRIN2B
SCHEMBL16699584 0.77 GRM2 (0.35) KMOCSNK1ECSNK1DGRIN2BGRM2
SCHEMBL16700422 0.73 KMO (0.39) KMOCASP1GRIN2BABL1MARS1
SCHEMBL16699487 0.73 KMO (0.39) KMOCASP1GRIN2BFYNABL1
SCHEMBL16730941 0.72 MAPT (0.38) CSNK1EGRM2MAPTUSP30
SCHEMBL16709082 0.71 CSNK1E (0.43) CSNK1ECSNK1DMAPTUSP30CNR2
SCHEMBL16700410 0.70 KMO (0.38) KMOCASP1CSNK1ECSNK1DGRIN2B
SCHEMBL23778207 0.68 GRM5 (0.48) KMOCASP1
SCHEMBL16699092 0.68 CSNK1E (0.55) KMOCSNK1ECSNK1DGRIN2BMARS1

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 1485/4885CSNK1E 1/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 KMO 2351/4885CASP1 1485/4885CSNK1E 1/4885

“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.