SCHEMBL6844742

SCHEMBL6844742

CC[Si](C#Cc1ccc(NC(C)=O)nc1)(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 7/20 0.39
USP7 Q93009 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NSD2 O96028 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPT P10636 1/20 0.37
HCAR3 P49019 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL4756265 0.77 PTK2 (0.59) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL1430551 0.75 KMT2A (0.57) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL4104898 0.75 PTK2 (0.57) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL16011559 0.74 MAPK1 (0.50) L3MBTL1KDM4EACACB
SCHEMBL16622225 0.74 PTK2 (0.46) PTK2CYP1A2GAAKMT2ARAB9A
SCHEMBL1432897 0.72 RAB9A (0.44) PTK2KMT2ARAB9AKDM4EMEN1
SCHEMBL2806910 0.72 RAB9A (0.44) PTK2L3MBTL1KMT2ARAB9AKDM4E
SCHEMBL27809191 0.71 ACACB (0.44) PTK2KMT2ARAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL1432991 0.71 RAB9A (0.43) PTK2KMT2ARAB9AKDM4EMEN1
SCHEMBL16463469 0.71 PTK2 (0.56) PTK2CYP1A2GAARAB9ASMN1; SMN2

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 PTK2 160/4885CYP1A2 4207/4885GAA 1871/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA PTK2 160/4885CYP1A2 4207/4885GAA 1871/4885

“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.