SCHEMBL6848217

SCHEMBL6848217

CNC(=O)c1n[nH]c(SCc2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 4/20 0.45
ATM Q13315 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PARP1 P09874 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMO Q99835 1/20 0.41
F2 P00734 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK10 P53779 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
SCHEMBL6846741 0.88 LMNA (0.49) LMNAMAPTATMMAOAMAOB
SCHEMBL6841259 0.86 LMNA (0.47) LMNAMAPTATMMAOAMAOB
SCHEMBL6841212 0.86 LMNA (0.47) LMNAMAPTATMMAOAMAOB
SCHEMBL6844809 0.84 LMNA (0.45) LMNAMAPTATMMAOAMAOB
SCHEMBL6848211 0.76 ATM (0.47) LMNAMAPTATMMAOAMAOB
SCHEMBL6845328 0.75 LMNA (0.50) LMNAMAPTATMSMN1; SMN2RAB9A
SCHEMBL5668984 0.74 ALDH1A1 (0.49) LMNAMAPTATMMAOAMAOB
SCHEMBL6841244 0.73 LMNA (0.65) LMNAMAPTATMSMN1; SMN2NPC1
SCHEMBL6846826 0.69 MEN1 (0.53) LMNAMAPTATMSMN1; SMN2RAB9A
SCHEMBL30958899 0.68 ATM (0.89) MAPTATMSMN1; SMN2NPC1RAB9A

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 LMNA 4001/4885MAPT 899/4885ATM 540/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LMNA 4001/4885MAPT 899/4885ATM 540/4885

“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.