SCHEMBL18179645

SCHEMBL18179645

Cc1cc(-c2nn3c(c2C(N)=O)CCCC3)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 19/20 0.51
CSNK1D P48730 14/20 0.48
BTK Q06187 1/20 0.43

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
SCHEMBL18179644 0.90 CSNK1E (0.59) CSNK1ECSNK1DBTK
SCHEMBL16708912 0.86 CSNK1E (0.48) CSNK1ECSNK1DBTK
SCHEMBL18179646 0.85 CSNK1E (0.45) CSNK1ECSNK1D
SCHEMBL20748862 0.83 CSNK1E (0.57) CSNK1ECSNK1D
SCHEMBL16708793 0.83 CSNK1E (0.59) CSNK1ECSNK1D
SCHEMBL16722416 0.82 TLR9 (0.54) CSNK1ECSNK1DBTK
SCHEMBL16708796 0.81 CSNK1E (0.62) CSNK1ECSNK1D
SCHEMBL18171221 0.81 CSNK1E (0.63) CSNK1ECSNK1D
SCHEMBL20748936 0.81 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL18179642 0.81 CSNK1E (0.52) CSNK1ECSNK1D

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 CSNK1E 2/4885CSNK1D 6/4885BTK 1118/4885

“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.