SCHEMBL16711461

SCHEMBL16711461

CCOC(=O)c1c(I)nn2c1C(=O)N(C(=O)NC(C)(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CSNK1D P48730 5/20 0.32
▸ GAA P10253 1/20 0.31
▸ CSNK1E P49674 4/20 0.31
▸ PDE4D Q08499 2/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL16699925 0.79 CSNK1D (0.51) CSNK1DCSNK1E
SCHEMBL16699032 0.72 ADORA3 (0.37) KDM4EHTTALDH1A1HPGDTSHR
SCHEMBL16728669 0.69 KMT2A (0.36) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL16700630 0.66 KMT2A (0.35) KDM4EL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL16711267 0.66 PLAT (0.34) SMN1; SMN2HTTALDH1A1HPGDGAA
SCHEMBL16699234 0.66 ADORA1 (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL16699755 0.66 PLAT (0.34) KDM4ESMN1; SMN2HTTALDH1A1PDE4D
SCHEMBL16708910 0.65 ALDH1A1 (0.44) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL16700427 0.65 KMT2A (0.37) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16699704 0.65 CYP1A2 (0.36) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HPGD

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 KDM4E 566/4885L3MBTL1 3554/4885SMN1; SMN2 4098/4885

“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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