SCHEMBL6846677

SCHEMBL6846677

CC(C)c1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PARP1 P09874 1/20 0.47
FLT3 P36888 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.43
AURKB Q96GD4 1/20 0.43
CXCR2 P25025 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
POLB P06746 1/20 0.42
PDGFRB P09619 3/20 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
SCHEMBL6848439 0.92 FLT3 (0.51) ALDH1A1FLT3NPC1RAB9AMAPT
SCHEMBL7592061 0.88 ALDH1A1 (0.48) ALDH1A1FLT3NPC1RAB9AMAPT
SCHEMBL6841266 0.88 ALDH1A1 (0.44) ALDH1A1PARP1FLT3NPC1RAB9A
SCHEMBL6846651 0.88 ALDH1A1 (0.48) ALDH1A1PARP1NPC1RAB9AMAPT
SCHEMBL6846844 0.86 MAPT (0.47) ALDH1A1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL6848340 0.83 ABL1 (0.51) ALDH1A1FLT3SMN1; SMN2MAPTMAPK1
SCHEMBL6848432 0.83 ALDH1A1 (0.48) ALDH1A1PARP1FLT3MAPTMAPK1
SCHEMBL6844684 0.83 ALDH1A1 (0.48) ALDH1A1FLT3SMN1; SMN2MAPTMAPK1
SCHEMBL6845380 0.83 ALDH1A1 (0.49) ALDH1A1FLT3NPC1RAB9AMAPT
SCHEMBL5668984 0.82 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2MAPTMAPK1

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 3632/4885PARP1 2139/4885FLT3 328/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885PARP1 2139/4885FLT3 328/4885

“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.