Sugi Predict

Sugi Predict / Compounds / SCHEMBL2194569

SCHEMBL2194569

SCHEMBL2194569

C[Si](C)(C)CCOCn1nc(I)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ EGFR P00533 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ GLS O94925 1/20 0.34
▸ PDE5A O76074 2/20 0.33
▸ DGAT1 O75907 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GUCY1B2 O75343 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL31609652 1.00 NPC1 (0.45) NPC1EGFRIGF1RSRCFLT4
SCHEMBL5515500 0.83 NPC1 (0.38) NPC1EGFRIGF1RSRCFLT4
SCHEMBL5247838 0.83 NPC1 (0.36) NPC1EGFRIGF1RSRCFLT4
SCHEMBL16023365 0.83 NPC1 (0.42) NPC1EGFRIGF1RSRCFLT4
SCHEMBL4109728 0.83 NPC1 (0.45) NPC1EGFRIGF1RSRCFLT4
SCHEMBL25375523 0.82 MAPT (0.41) NPC1DGAT1KCNH2
SCHEMBL14493349 0.82 NPC1 (0.38) NPC1DGAT1KDM4EHSD17B10LMNA
SCHEMBL15304363 0.82 NPC1 (0.35) NPC1PDE5ADGAT1
SCHEMBL30562218 0.82 MAPT (0.41) NPC1DGAT1KCNH2
SCHEMBL5511811 0.81 NPC1 (0.37) NPC1DGAT1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482583-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 — — EP disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 — — WO disclosed
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 — — EP disclosed
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 — — EP disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 — — US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 — — US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 — — US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 — — US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 — — US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 — — US disclosed
US-8431529-B2 Bi-dentate compounds as kinase inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-04-30 — — US disclosed
US-8431529-B2 Bi-dentate compounds as kinase inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-04-30 — — US disclosed
WO-2012083092-A2 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-06-21 — — WO disclosed
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-07-14 — — US disclosed
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-07-14 — — US disclosed
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-07-14 — — US disclosed
US-7919581-B2 Bi-dentate compounds as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-04-05 — — US disclosed
US-7919581-B2 Bi-dentate compounds as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-04-05 — — US disclosed
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 — — US disclosed
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 — — 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 (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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 NPC1 1850/4885EGFR 981/4885IGF1R 327/4885
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS MAP2K2, MAP2K7, MAP2K1 NPC1 3204/4885EGFR 1039/4885IGF1R 1977/4885
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS MAP2K2, MAP2K1, MAP2K7 NPC1 3124/4885EGFR 1051/4885IGF1R 2189/4885

“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.