Sugi Predict

Sugi Predict / Compounds / SCHEMBL4062141

SCHEMBL4062141

SCHEMBL4062141

C[Si](C)(C)CCOCn1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.38
▸ CXCR1 P25024 2/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL1505957 0.87 HPGDS (0.42) DGAT1CXCR1CYP3A4CYP2C9CYP2C19
SCHEMBL31403194 0.86 DGAT1 (0.39) DGAT1CYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL204155 0.86 SMN1; SMN2 (0.46) DGAT1CYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL4069982 0.86 HPGDS (0.41) DGAT1CXCR1CYP3A4CYP2C9CYP2C19
SCHEMBL27776224 0.85 DGAT1 (0.43) DGAT1RAB9ALMNAMAPTALOX5AP
SCHEMBL4065195 0.85 MAPT (0.48) DGAT1SMN1; SMN2RAB9ALMNAMEN1
SCHEMBL30992679 0.81 QPCT (0.32) DGAT1MAPK1ALOX5APFEN1KDM5B
SCHEMBL4072730 0.81 RAB9A (0.57) CXCR1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24229626 0.80 CYP2E1 (0.38) DGAT1CYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL2369367 0.80 CYP11B1 (0.39) DGAT1CYP3A4CYP2C9CYP2C19CYP2E1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 — — EP disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 — — EP disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 — — US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 — — US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 — — US disclosed
WO-2014100533-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 δ/ε INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 — — WO disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 — — EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 — — CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — WO 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 (4 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 DGAT1 2719/4885CXCR1 9/4885CYP3A4 3162/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 DGAT1 3612/4885CXCR1 5/4885CYP3A4 2593/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 DGAT1 2719/4885CXCR1 9/4885CYP3A4 3162/4885
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 DGAT1 3392/4885CXCR1 2651/4885CYP3A4 2773/4885

“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.