SCHEMBL6845361

SCHEMBL6845361

CON(C)C(=O)C1CC1c1cccc(C(=O)Nc2ccc(C(C)C)c(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 12/20 0.41
MAOB P27338 5/20 0.41
MAOA P21397 8/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMO Q99835 1/20 0.40
EPHX2 P34913 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL6846561 0.76 RAB9A (0.45) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL6846567 0.76 RAB9A (0.45) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL6841416 0.74 RAB9A (0.44) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL17409720 0.73 KCNK3 (0.70) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL23844181 0.72 BRAF (0.58) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL6841481 0.72 KMT2A (0.57) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL5490431 0.71 RAB9A (0.66) HSP90AA1KDM4EALDH1A1GAAMAPT
SCHEMBL5675828 0.69 GPR88 (0.46) ALDH1A1EPHX2
SCHEMBL1223675 0.69 SLC9A1 (0.53) ALDH1A1MAPTNPSR1EPHX2
SCHEMBL6320354 0.69 SLC9A1 (0.60) KDM4EALDH1A1GAAEPHX2

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 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 HSP90AA1 910/4885KDM4E 1227/4885ALDH1A1 3632/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA HSP90AA1 910/4885KDM4E 1227/4885ALDH1A1 3632/4885

“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.