SCHEMBL16700166

SCHEMBL16700166

NC(=O)N1CCn2ncc(C(=O)NC34CCC(c5ccccc5)(CC3)CC4)c2C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.36
▸ CSNK1E P49674 5/20 0.32
▸ CSNK1D P48730 4/20 0.32
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ PNMT P11086 1/20 0.30
▸ SLC6A9 P48067 1/20 0.30
▸ TET3 O43151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ FBXL19 Q6PCT2 1/20 0.30
▸ CXXC5 Q7LFL8 1/20 0.30
▸ TET1 Q8NFU7 1/20 0.30
▸ KDM2B Q8NHM5 1/20 0.30
▸ CXXC4 Q9H2H0 1/20 0.30
▸ KDM2A Q9Y2K7 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
SCHEMBL16718784 0.88 CSNK1D (0.36) CSNK1ECSNK1D
SCHEMBL16699389 0.84 CASR (0.31) CASRCSNK1ECSNK1D
SCHEMBL16698729 0.78 CD38 (0.31) —
SCHEMBL28611830 0.72 CSNK1D (0.36) CSNK1ECSNK1DPRMT5WDR77
SCHEMBL16699410 0.71 CSNK1E (0.40) CSNK1ECSNK1D
SCHEMBL16700182 0.69 — —
SCHEMBL16700861 0.69 — —
SCHEMBL23778990 0.66 CSNK1D (0.36) CSNK1ECSNK1D
SCHEMBL16700071 0.65 CSNK1E (0.61) CSNK1ECSNK1D
SCHEMBL22615748 0.64 USP30 (0.39) KMT2A

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-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 (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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CASR 2782/4885CSNK1E 1/4885CSNK1D 7/4885

“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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