SCHEMBL6841409

SCHEMBL6841409

Cc1cc(NC(=O)c2cccc(C(S)c3nc(N)n[nH]3)c2)ccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
DDR2 Q16832 1/20 0.39
ULK1 O75385 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 5/20 0.38
RAF1 P04049 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL6846736 0.79 ATM (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL23844181 0.78 BRAF (0.58) BRAFRAB9AKDM4EALDH1A1HSP90AA1
SCHEMBL6841265 0.77 FLT3 (0.45) BRAFRAB9AKDM4EALDH1A1HSP90AA1
SCHEMBL6841410 0.76 PARP1 (0.41) RAB9AKDM4EALDH1A1HSP90AA1GAA
SCHEMBL6844678 0.76 BRAF (0.52) BRAFRAB9AKDM4EALDH1A1HSP90AA1
SCHEMBL17409720 0.73 KCNK3 (0.70) RAB9AKDM4EALDH1A1HSP90AA1GAA
SCHEMBL6841481 0.72 KMT2A (0.57) RAB9AKDM4EALDH1A1HSP90AA1GAA
SCHEMBL5490431 0.71 RAB9A (0.66) RAB9AKDM4EALDH1A1HSP90AA1GAA
SCHEMBL14566866 0.69 RAB9A (0.56) RAB9AKDM4EALDH1A1HSP90AA1GAA
SCHEMBL6846671 0.69 RAB9A (0.53) BRAFRAB9AKDM4EALDH1A1HSP90AA1

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 BRAF 1/4885RAB9A 1183/4885KDM4E 1227/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA BRAF 1/4885RAB9A 1183/4885KDM4E 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.