Sugi Predict

Sugi Predict / Compounds / SCHEMBL3521311

SCHEMBL3521311

SCHEMBL3521311

C[Si](C)(C)CCOCn1cnc(Oc2ccccc2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP19 O94966 1/20 0.38
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ DGAT1 O75907 2/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ LOX P28300 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL4473921 0.81 MAPK14 (0.40) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL3519184 0.75 MAPK14 (0.50) LOXL2LOXPKM
SCHEMBL28966690 0.75 DGAT1 (0.35) USP19NPC1BRD4CREBBPDGAT1
SCHEMBL5488835 0.74 NPC1 (0.36) SMN1; SMN2NPC1ALDH1A1BRD4CREBBP
SCHEMBL200911 0.71 NPC1 (0.41) SMN1; SMN2L3MBTL1NPC1RAB9ADGAT1
SCHEMBL1351068 0.71 DGAT1 (0.40) NPC1ALDH1A1DGAT1
SCHEMBL22326078 0.71 DGAT1 (0.35) SMN1; SMN2L3MBTL1NPC1RAB9ADGAT1
SCHEMBL31572148 0.69 KMT2A (0.52) SMN1; SMN2L3MBTL1RAB9ACYP1A2CYP2C9
SCHEMBL15845891 0.69 KMT2A (0.52) SMN1; SMN2L3MBTL1RAB9ACYP1A2CYP2C9
SCHEMBL5485859 0.69 NPC1 (0.36) NPC1BRD4CREBBPDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 — — US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 — — US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 — — US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 — — US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 — — EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 — — US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 — — 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 SMN1; SMN2 912/4885L3MBTL1 3378/4885USP19 4634/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 SMN1; SMN2 746/4885L3MBTL1 3456/4885USP19 4698/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 SMN1; SMN2 912/4885L3MBTL1 3378/4885USP19 4634/4885

“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.