SCHEMBL6844684

SCHEMBL6844684

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
AURKA O14965 3/20 0.45
AURKB Q96GD4 2/20 0.45
ITK Q08881 3/20 0.43
MAPK14 Q16539 1/20 0.43
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RPS6KB1 P23443 2/20 0.41
BRAF P15056 2/20 0.41
BTK Q06187 2/20 0.41
CDK2 P24941 1/20 0.41
BMX P51813 1/20 0.41
CSF1R P07333 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL6846651 0.92 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1AURKAAURKB
SCHEMBL6848432 0.86 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1MAPK14SIRT1
SCHEMBL6848439 0.86 FLT3 (0.51) ALDH1A1MAPTMAPK1AURKAAURKB
SCHEMBL6845380 0.86 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1AURKAAURKB
SCHEMBL6846844 0.85 MAPT (0.47) ALDH1A1MAPTMAPK1FLT3SMN1; SMN2
SCHEMBL7592061 0.84 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1FLT3LOXL2
SCHEMBL6846677 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1AURKBSIRT1
SCHEMBL6846526 0.83 NPC1 (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2RPS6KB1
SCHEMBL6848430 0.82 SIRT2 (0.51) ALDH1A1MAPTMAPK1SIRT1SIRT2
SCHEMBL6841266 0.82 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1ITKMAPK14

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 ALDH1A1 3632/4885MAPT 899/4885MAPK1 45/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885MAPT 899/4885MAPK1 45/4885

“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.