SCHEMBL6841450

SCHEMBL6841450

COc1cccc(/C=N/Nc2ncc(COc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SPHK2 Q9NRA0 3/20 0.41
SPHK1 Q9NYA1 3/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 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
SCHEMBL6841451 1.00 RAB9A (0.43) RAB9AMAPTKDM4ECASP3SENP8
SCHEMBL6846628 0.80 NPC1 (0.48) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL6848483 0.79 NPC1 (0.42) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL6845407 0.79 NPC1 (0.47) RAB9AMAPTKDM4EHSP90AA1HSP90AB1
SCHEMBL6846662 0.77 NPC1 (0.53) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL7493562 0.73 NPC1 (0.41) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL6846445 0.69 KCNQ3 (0.55) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL6841256 0.69 NR1H4 (0.52) RAB9AMAPTKDM4ECASP3SENP8
SCHEMBL6844726 0.69 ALDH1A1 (0.49) RAB9AMAPTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL6844825 0.68 KMT2A (0.54) RAB9AMAPTCASP3SENP8SENP7

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 6 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
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 RAB9A 1183/4885MAPT 899/4885KDM4E 1227/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885MAPT 899/4885KDM4E 1227/4885

“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.