SCHEMBL6846476

SCHEMBL6846476

COc1cc(NC(=O)c2cccc(C(S)c3ncnc4[nH]ncc34)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 2/20 0.49
LCK P06239 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44
P4HTM Q9NXG6 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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 0.87 MEN1 (0.44) TP53P4HTMMEN1KMT2ARAB9A
SCHEMBL6844805 0.81 HPGD (0.50) TP53HPGDL3MBTL1NPC1LMNA
SCHEMBL6841265 0.80 FLT3 (0.45) L3MBTL1RAB9ANPC1
SCHEMBL6846426 0.79 CYP1A2 (0.47) SMN1; SMN2TP53MEN1KMT2ARAB9A
SCHEMBL6846523 0.78 NPC1 (0.52) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL6848426 0.78 FLT3 (0.51) SMN1; SMN2TP53MEN1KMT2ARAB9A
SCHEMBL5668984 0.77 ALDH1A1 (0.49) MAOBMAOALCKSMN1; SMN2TP53
SCHEMBL6846736 0.76 ATM (0.47) MAOBMAOASMN1; SMN2TP53HPGD
SCHEMBL6845327 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ATMP4HTMMEN1KMT2A
SCHEMBL6848211 0.75 ATM (0.47) MAOBMAOASMN1; SMN2TP53HPGD

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
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
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 MAOB 2116/4885MAOA 2255/4885LCK 90/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAOB 2116/4885MAOA 2255/4885LCK 90/4885

“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.