SCHEMBL6844805

SCHEMBL6844805

COc1ccccc1CNC(=O)c1cccc(C(S)c2ncnc3[nH]ncc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.48
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 3/20 0.47
MAPT P10636 3/20 0.47
PRKCA P17252 1/20 0.43
GRK2 P25098 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL6841314 0.85 MEN1 (0.44) MAPTHDAC1NPC1TP53
SCHEMBL6846866 0.81 ROCK2 (0.43) GAAROCK2ROCK1PRKCAGRK2
SCHEMBL6846476 0.81 MAOB (0.49) HPGDNPC1L3MBTL1LMNATP53
SCHEMBL6846602 0.80 SLC29A1 (0.46) HPGDROCK2ROCK1HDAC1KDM4E
SCHEMBL6846446 0.78 PAK1 (0.35) HPGDPOLBROCK2ROCK1MAPT
SCHEMBL6844806 0.78 GAA (0.50) HPGDGAAPOLBROCK2ROCK1
SCHEMBL11901119 0.72 HPGD (0.84) HPGDGAAPOLBMAPTHDAC1
SCHEMBL5412630 0.72 ROCK2 (0.64) HPGDGAAPOLBROCK2ROCK1
SCHEMBL6841265 0.72 FLT3 (0.45) GAAROCK2ROCK1MAPTKDM4E
SCHEMBL6846523 0.70 NPC1 (0.52) POLBROCK2ROCK1MAPTALDH1A1

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 7 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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
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
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

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 HPGD 1760/4885GAA 1871/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA HPGD 1760/4885GAA 1871/4885POLB 2588/4885

“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.