SCHEMBL16711364

SCHEMBL16711364

CCOC(=O)c1c(I)nn2c1C(=O)N[C@@H]1COC[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
PDE4D Q08499 1/20 0.32
CASP1 P29466 1/20 0.31
CYP1A2 P05177 2/20 0.31
PLAT P00750 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KMT2A Q03164 1/20 0.30
ADORA2B P29275 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
ESR2 Q92731 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL16699208 0.83
SCHEMBL16709006 0.78
SCHEMBL16699755 0.73 PLAT (0.34) ALDH1A1HTTPDE4DCYP1A2PLAT
SCHEMBL16699674 0.72 PLAT (0.34) ALDH1A1HTTPDE4DCYP1A2PLAT
SCHEMBL16700630 0.71 KMT2A (0.35) ALDH1A1HTTPDE4DCASP1CYP1A2
SCHEMBL16701033 0.70 POLB (0.34) ALDH1A1HTTPDE4DCYP1A2PLAT
SCHEMBL16711267 0.69 PLAT (0.34) ALDH1A1HTTPDE4DCYP1A2PLAT
SCHEMBL16700427 0.68 KMT2A (0.37) ALDH1A1PDE4DCYP1A2PLATSMN1; SMN2
SCHEMBL16700012 0.68 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2TSHR
SCHEMBL16722483 0.68 PLAT (0.34) ALDH1A1HTTPDE4DCYP1A2PLAT

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 ALDH1A1 2162/4885HTT 4814/4885PDE4D 1774/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 ALDH1A1 2162/4885HTT 4814/4885PDE4D 1774/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 ALDH1A1 1456/4885HTT 4803/4885PDE4D 1591/4885

“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.