SCHEMBL6844757

SCHEMBL6844757

CC[Si](C#Cc1cncc(C(=O)OC)c1)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
GRM5 P41594 1/20 0.42
CYP2A6 P11509 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
S1PR1 P21453 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3347538 0.84 ATM (0.58) ATMCYP2C19CYP2C9GRM5CYP2A6
SCHEMBL23012593 0.80 ATM (0.57) ATMCYP2C19CYP2C9GRM5CYP2A6
SCHEMBL15062769 0.79 PTPN11 (0.50) CYP2C19CYP2C9ALDH1A1NPC1RAB9A
SCHEMBL22120719 0.78 ATM (0.51) ATMCYP2C19CYP2C9GRM5CYP2A6
SCHEMBL1477039 0.77 MAPT (0.55) ATMGRM5LMNAALDH1A1CYP11B1
SCHEMBL23883589 0.75 ATM (0.51) ATMCYP2C19GRM5CYP2A6LMNA
SCHEMBL30234325 0.75 ATM (0.51) ATMCYP2C19GRM5CYP2A6LMNA
Hydrochloric Acid SCHEMBL1477229 0.75 MAPT (0.54) ATMGRM5LMNAALDH1A1CYP11B1
SCHEMBL746643 0.75 ATM (0.59) ATMCYP2C19CYP2C9GRM5CYP2A6
SCHEMBL1413482 0.75 ATM (0.59) ATMCYP2C19CYP2C9GRM5CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885CYP2C19 4456/4885CYP2C9 4024/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885CYP2C19 4456/4885CYP2C9 4024/4885

“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.