SCHEMBL6844786

SCHEMBL6844786

COc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
AURKB Q96GD4 4/20 0.46
AURKA O14965 3/20 0.46
FLT3 P36888 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
MAOB P27338 4/20 0.43
MAOA P21397 1/20 0.43
KDR P35968 2/20 0.42
RET P07949 1/20 0.42
PARP1 P09874 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 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
SCHEMBL6846944 0.87 MAPT (0.48) ALDH1A1MAPTMAPK1AURKBAURKA
SCHEMBL6846676 0.87 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1AURKBAURKA
SCHEMBL5668984 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1MAOBMAOA
SCHEMBL6848430 0.84 SIRT2 (0.51) ALDH1A1MAPTMAPK1FLT3SIRT2
SCHEMBL6841315 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1SIRT2KDR
SCHEMBL6845386 0.82 ALDH1A1 (0.66) ALDH1A1MAPTMAPK1FLT3SIRT2
SCHEMBL6845380 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1AURKBAURKA
SCHEMBL6845344 0.81 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1AURKBAURKA
SCHEMBL6846685 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1FLT3SIRT2
SCHEMBL6841324 0.81 SIRT2 (0.55) ALDH1A1MAPTMAPK1AURKAFLT3

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
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
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

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.