SCHEMBL6846526

SCHEMBL6846526

O=C(Nc1ccc2ncccc2c1)c1cccc(CSc2ncnc3[nH]ncc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PABPC1 P11940 1/20 0.50
PARP1 P09874 1/20 0.50
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
PDE6D O43924 1/20 0.43
JAK2 O60674 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6846685 0.93 ALDH1A1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6846651 0.83 ALDH1A1 (0.48) NPC1RAB9APARP1ALDH1A1MAPT
SCHEMBL6844684 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2ROCK2
SCHEMBL7592061 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL6845380 0.82 ALDH1A1 (0.49) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL6846844 0.82 MAPT (0.47) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL6846677 0.82 ALDH1A1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6848439 0.81 FLT3 (0.51) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL6848432 0.81 ALDH1A1 (0.48) PARP1ALDH1A1MAPTMAPK1
SCHEMBL6841266 0.81 ALDH1A1 (0.44) NPC1RAB9APARP1ALDH1A1MAPT

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 NPC1 4543/4885RAB9A 1183/4885CASP3 1596/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPC1 4543/4885RAB9A 1183/4885CASP3 1596/4885

“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.