SCHEMBL6846427

SCHEMBL6846427

Cc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 1/20 0.50
PAX8 Q06710 1/20 0.50
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL6846844 0.84 MAPT (0.47) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL7592061 0.83 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL6846651 0.80 ALDH1A1 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6846677 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6844684 0.80 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6841315 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL6848439 0.80 FLT3 (0.51) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL6848432 0.80 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1
SCHEMBL6841266 0.79 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL6845380 0.79 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTMAPK1

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 1183/4885SMN1; SMN2 4682/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPC1 4543/4885RAB9A 1183/4885SMN1; SMN2 4682/4885

“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.