SCHEMBL16708911

SCHEMBL16708911

NC(=O)c1c(I)nn2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ CSNK1D P48730 2/20 0.30
▸ CSNK1E P49674 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL16708908 0.85 KMT2A (0.31) KDM4EMAPT
SCHEMBL16708910 0.76 ALDH1A1 (0.44) GAAALDH1A1HPGDTSHRLMNA
SCHEMBL16722727 0.74 TLR9 (0.38) —
SCHEMBL6382734 0.71 GAA (0.33) GAAALDH1A1HPGDLMNAKDM4E
SCHEMBL16708793 0.71 CSNK1E (0.59) CSNK1DCSNK1E
SCHEMBL6383258 0.70 ALDH1A1 (0.35) GAAALDH1A1HPGDTSHRLMNA
SCHEMBL16708913 0.68 RIPK2 (0.51) ALDH1A1HPGDLMNACSNK1DCSNK1E
SCHEMBL18179644 0.68 CSNK1E (0.59) CSNK1DCSNK1E
SCHEMBL18179648 0.68 CSNK1E (0.43) CSNK1DCSNK1E
SCHEMBL16708796 0.68 CSNK1E (0.62) CSNK1DCSNK1E

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 5 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
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 GAA 2533/4885ALDH1A1 2162/4885HPGD 3104/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 GAA 2533/4885ALDH1A1 2162/4885HPGD 3104/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 GAA 2256/4885ALDH1A1 1456/4885HPGD 2910/4885

“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.

Send feedback