SCHEMBL16711114

SCHEMBL16711114

CCOC(=O)c1c(I)nn2c1CN(C(=O)OC(C)(C)C)C(C)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ GLA P06280 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL16700086 0.87 ADORA1 (0.36) ADORA1GPR119MEN1KMT2AGLA
SCHEMBL16700456 0.87 ADORA1 (0.36) ADORA1GPR119MEN1KMT2AGLA
SCHEMBL16697373 0.85 MAP4K4 (0.35) ADORA1GPR119MAP4K4ALDH1A1HDAC1
SCHEMBL16711379 0.84 MAP4K4 (0.36) GPR119MAP4K4HDAC1NR1H2NR1H3
SCHEMBL16728665 0.84 MAP4K4 (0.34) GPR119MAP4K4ALDH1A1HDAC1
SCHEMBL16699234 0.79 ADORA1 (0.48) ADORA1GPR119MEN1KMT2AALDH1A1
SCHEMBL16701002 0.76 GLA (0.37) ADORA1GPR119MEN1KMT2AGLA
SCHEMBL16711278 0.76 ADORA1 (0.37) ADORA1GPR119GLAIGF1R
SCHEMBL30622784 0.75 SETD7 (0.34) GPR119MEN1KMT2AMAP4K4HDAC1
SCHEMBL30622818 0.75 SETD7 (0.34) GPR119MEN1KMT2AMAP4K4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2015073767-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
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 ADORA1 3797/4885GPR119 2449/4885MEN1 4028/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 ADORA1 3797/4885GPR119 2449/4885MEN1 4028/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 ADORA1 2882/4885GPR119 2834/4885MEN1 3496/4885

“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.

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