SCHEMBL6846671

SCHEMBL6846671

Cc1cc(NC(=O)c2cccc(C=O)c2)ccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
HSP90AA1 P07900 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNK3 O14649 5/20 0.51
KCNK9 Q9NPC2 5/20 0.51
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AB1 P08238 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL17409720 0.84 KCNK3 (0.70) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL23844181 0.83 BRAF (0.58) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL6841481 0.83 KMT2A (0.57) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL5490431 0.83 RAB9A (0.66) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL6846561 0.81 RAB9A (0.45) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL6846567 0.81 RAB9A (0.45) RAB9AHSP90AA1GAAKDM4EALDH1A1
SCHEMBL15652944 0.81 KMT2A (0.53) RAB9AHSP90AA1KDM4EMAPTKCNK3
SCHEMBL15652364 0.80 NPC1 (0.61) RAB9AKDM4EMAPTKCNK3KCNK9
SCHEMBL13917760 0.79 PKM (0.59) RAB9AMAPTKCNK3KCNK9KMT2A
SCHEMBL18556971 0.79 KCNK3 (0.53) RAB9AHSP90AA1GAAKDM4EALDH1A1

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 RAB9A 1183/4885HSP90AA1 910/4885GAA 1871/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885HSP90AA1 910/4885GAA 1871/4885

“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.