SCHEMBL18179665

SCHEMBL18179665

Cc1n[nH]c2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 14/20 0.38
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ CSNK1E P49674 15/20 0.36
▸ RIPK2 O43353 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL16722543 0.85 TLR9 (0.49) CSNK1DTLR9TLR8TLR7CSNK1E
SCHEMBL18171107 0.84 CSNK1D (0.48) CSNK1DCSNK1E
SCHEMBL18179666 0.81 CSNK1D (0.39) CSNK1DTLR9TLR8TLR7CSNK1E
SCHEMBL18179663 0.80 ADORA2A (0.40) CSNK1DCSNK1ERIPK2LCKKDR
SCHEMBL16728592 0.80 CSNK1D (0.49) CSNK1DCSNK1E
SCHEMBL18179646 0.79 CSNK1E (0.45) CSNK1DCSNK1ERIPK2LCKKDR
SCHEMBL18179648 0.79 CSNK1E (0.43) CSNK1DCSNK1E
SCHEMBL16708913 0.77 RIPK2 (0.51) CSNK1DCSNK1ERIPK2LCKKDR
SCHEMBL18179653 0.75 CSNK1E (0.42) CSNK1DCSNK1ERIPK2LCKKDR
SCHEMBL16722733 0.75 CSNK1E (0.61) 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 CSNK1D 6/4885TLR9 4828/4885TLR8 4806/4885

“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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