SCHEMBL6848439

SCHEMBL6848439

CC(C)c1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
DDR2 Q16832 1/20 0.47
KDR P35968 4/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
CBLB Q13191 1/20 0.41
PDGFRB P09619 3/20 0.41
BRAF P15056 3/20 0.41
FADS1 O60427 1/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
AURKB Q96GD4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6846677 0.92 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL6841266 0.87 ALDH1A1 (0.44) FLT3ALDH1A1MAPTMAPK1DDR2
SCHEMBL6848432 0.86 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL6844684 0.86 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1SIRT2
SCHEMBL6845380 0.86 ALDH1A1 (0.49) FLT3ALDH1A1MAPTMAPK1SIRT2
SCHEMBL6846844 0.85 MAPT (0.47) FLT3ALDH1A1MAPTMAPK1NPC1
SCHEMBL7592061 0.84 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1BRAF
SCHEMBL6846651 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1SIRT2SIRT1
SCHEMBL6848430 0.82 SIRT2 (0.51) FLT3ALDH1A1MAPTMAPK1SIRT2
SCHEMBL5668984 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1RAB9A

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 9 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
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 FLT3 328/4885ALDH1A1 3632/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA FLT3 328/4885ALDH1A1 3632/4885MAPT 899/4885

“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.