SCHEMBL6846736

SCHEMBL6846736

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GFER P55789 1/20 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
STAT3 P40763 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6848211 0.89 ATM (0.47) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL6841211 0.87 ATM (0.45) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL6841409 0.79 BRAF (0.42) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL6846476 0.76 MAOB (0.49) ATMMAOBMAOASMN1; SMN2LMNA
SCHEMBL22628681 0.76 ATM (0.62) ATMMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6845327 0.75 SMN1; SMN2 (0.48) ATMMAPTSMN1; SMN2LMNAMAPK8
SCHEMBL6846741 0.75 LMNA (0.49) ATMMAOBMAOAMAPTSMN1; SMN2
SCHEMBL30958899 0.69 ATM (0.89) ATMMAPTSMN1; SMN2ALDH1A1POLB
Iodide SCHEMBL30758622 0.68 ATM (0.86) ATMMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL2216161 0.67 TUBB4A (0.65) ATMMAPTSMN1; SMN2LMNAALDH1A1

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.