SCHEMBL6841258

SCHEMBL6841258

O=C(O)c1cccc(SCc2cnccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.52
DAO P14920 1/20 0.48
HPGD P15428 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMO O15229 1/20 0.44
LTB4R Q15722 2/20 0.43
VNN1 O95497 3/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL4016992 0.77 APEX1 (0.58) APEX1DAOHPGDCYP2C9CYP1A2
SCHEMBL30198674 0.73 APEX1 (0.65) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL12581571 0.73 APEX1 (0.65) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL3889076 0.73 APEX1 (0.65) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL9360229 0.70 DAO (0.54) DAORAB9A
SCHEMBL4775152 0.70 KMO (0.68) KMOALDH1A1APPGAAHCAR3
SCHEMBL31215381 0.70 APEX1 (0.59) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL5445177 0.70 APEX1 (1.00) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL1991282 0.70 APEX1 (0.69) APEX1HPGDCYP2C9CYP1A2HSD17B10
SCHEMBL5315809 0.69 APEX1 (0.63) APEX1HPGDCYP2C9CYP1A2HSD17B10

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 APEX1 2881/4885DAO 1389/4885HPGD 1760/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA APEX1 2881/4885DAO 1389/4885HPGD 1760/4885

“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.