Sugi Predict

Sugi Predict / Compounds / SCHEMBL160127

SCHEMBL160127

SCHEMBL160127

C[Si](C)(C)CCOCOc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ ACHE P22303 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PPARG P37231 1/20 0.31

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
SCHEMBL166407 0.77 KMT2A (0.49) CNR1CNR2ALDH1A1F2GLA
SCHEMBL358693 0.76 CNR1 (0.47) CNR1CNR2ALDH1A1F2GLA
SCHEMBL2474069 0.73 CHRNA3 (0.41) PDE10A
SCHEMBL32665568 0.73 CHRNA3 (0.41) PDE10A
SCHEMBL24958706 0.72 PDE10A (0.35) PDE10AACHE
SCHEMBL359885 0.71 MET (0.42) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL10283407 0.70 PDE2A (0.42) CNR1CNR2ALDH1A1F2GLA
SCHEMBL23216195 0.70 KDM4E (0.45) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL29512405 0.70 KDM4E (0.45) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL31162985 0.70 MAPT (0.39) KMT2ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — 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 (2 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET CNR1 3543/4885CNR2 4099/4885ALDH1A1 762/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 CNR1 4246/4885CNR2 4402/4885ALDH1A1 1464/4885

“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.