SCHEMBL6845407

SCHEMBL6845407

COc1cccc(C=NNC(Oc2cccc(C(=O)Nc3ccc(C(C)C)c(C)c3)c2)c2cncc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CSF1R P07333 1/20 0.43
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ASF1A Q9Y294 2/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLAU P00749 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 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
SCHEMBL6846637 0.80 RAB9A (0.48) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6841451 0.79 RAB9A (0.43) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6841450 0.79 RAB9A (0.43) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6846662 0.75 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7566711 0.75 NPC1 (0.40) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6846851 0.70 MMP9 (0.43) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6845332 0.69 CSF1R (0.44) NPC1RAB9AHSP90AA1CSF1RMAPT
SCHEMBL6846628 0.67 NPC1 (0.48) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6846474 0.67 FGFR1 (0.41) NPC1RAB9AHSP90AA1CSF1RMAPT
SCHEMBL6846634 0.67 HDAC8 (0.43) NPC1RAB9AKMT2AMEN1HSP90AA1

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 5 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1183/4885KMT2A 3246/4885

“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.