SCHEMBL16708797

SCHEMBL16708797

Fc1cccc(-c2nn3c(c2I)CCCC3)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 12/20 0.42
CSNK1E P49674 12/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
THRB P10828 5/20 0.41
TGFBR1 P36897 4/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2524978 0.96 THRB (0.44) CSNK1DCSNK1ECHRNB4CHRNA3THRB
SCHEMBL2522571 0.83 THRB (0.49) CSNK1DCSNK1ETHRBTGFBR1KDM4E
SCHEMBL2524316 0.83 PTGS2 (0.45) THRBTGFBR1KDM4EALDH1A1
SCHEMBL2522902 0.82 THRB (0.48) CSNK1DCSNK1ETHRBTGFBR1KDM4E
SCHEMBL2527781 0.79 THRB (0.43) CSNK1DCSNK1ETHRBTGFBR1KDM4E
SCHEMBL16708796 0.79 CSNK1E (0.62) CSNK1DCSNK1E
SCHEMBL2522830 0.79 THRB (0.53) CSNK1DCSNK1ETHRBTGFBR1KDM4E
SCHEMBL2521875 0.78 THRB (0.43) THRBTGFBR1KDM4EALDH1A1
SCHEMBL16709096 0.75 CHRNB4 (0.36) CSNK1DCSNK1ECHRNB4CHRNA3KDM4E
SCHEMBL16699295 0.75 CSNK1E (0.56) 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 CSNK1D 7/4885CSNK1E 1/4885CHRNB4 4502/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CSNK1D 7/4885CSNK1E 1/4885CHRNB4 4502/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 CSNK1D 6/4885CSNK1E 2/4885CHRNB4 4413/4885

“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.