SCHEMBL6841266

SCHEMBL6841266

Cc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
FLT3 P36888 2/20 0.40
CXCR2 P25025 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
JAK2 O60674 1/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
KCNH2 Q12809 1/20 0.38
DDR2 Q16832 1/20 0.38
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PARP1 P09874 2/20 0.38

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 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6848439 0.87 FLT3 (0.51) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6846844 0.85 MAPT (0.47) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL7592061 0.84 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6846651 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6848432 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1FLT3PARP1
SCHEMBL6844684 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1FLT3BTK
SCHEMBL6845380 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6846526 0.81 NPC1 (0.51) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL5668984 0.80 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2

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.