SCHEMBL16711379

SCHEMBL16711379

CC1Cn2nc(I)c(C(N)=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.32
▸ NR1H2 P55055 2/20 0.31
▸ SETD7 Q8WTS6 1/20 0.31
▸ BTK Q06187 3/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ NR1H3 Q13133 1/20 0.30

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
SCHEMBL16697373 0.89 MAP4K4 (0.35) MAP4K4HDAC1GPR119SETD7HSD11B1
SCHEMBL16728665 0.87 MAP4K4 (0.34) MAP4K4HDAC1GPR119SETD7
SCHEMBL16711396 0.85 BTK (0.35) HDAC1GPR119NR1H2BTKNR1H3
SCHEMBL16711519 0.85 CSNK1D (0.37) —
SCHEMBL16711114 0.84 ADORA1 (0.37) MAP4K4HDAC1GPR119NR1H2NR1H3
SCHEMBL26645349 0.79 SETD7 (0.34) MAP4K4HDAC1GPR119NR1H2SETD7
SCHEMBL30622784 0.79 SETD7 (0.34) MAP4K4HDAC1GPR119NR1H2SETD7
SCHEMBL30622818 0.79 SETD7 (0.34) MAP4K4HDAC1GPR119NR1H2SETD7
SCHEMBL19784974 0.78 MAP4K4 (0.34) MAP4K4HDAC1GPR119NR1H2SETD7
SCHEMBL16711291 0.77 CSNK1E (0.43) —

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 MAP4K4 58/4885HDAC1 560/4885GPR119 2449/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 MAP4K4 58/4885HDAC1 560/4885GPR119 2449/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 MAP4K4 41/4885HDAC1 749/4885GPR119 2834/4885

“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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