SCHEMBL6841211

SCHEMBL6841211

COc1cc(NC(=O)c2cccc(C(S)c3nc(NC(C)=O)n[nH]3)c2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 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
SCHEMBL6846736 0.87 ATM (0.47) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL6848211 0.87 ATM (0.47) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL6841212 0.76 LMNA (0.47) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL22628681 0.74 ATM (0.62) ATMMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL6845327 0.74 SMN1; SMN2 (0.48) ATMMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL6846476 0.73 MAOB (0.49) ATMMAOBMAOASMN1; SMN2LMNA
SCHEMBL6841259 0.69 LMNA (0.47) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL30958899 0.68 ATM (0.89) ATMMAPTSMN1; SMN2POLBALDH1A1
Iodide SCHEMBL30758622 0.67 ATM (0.86) ATMMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL17512384 0.67 ATM (0.60) ATMMAPTSMN1; SMN2POLBALDH1A1

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 ATM 540/4885MAOB 2116/4885MAOA 2255/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885MAOB 2116/4885MAOA 2255/4885

“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.