Sugi Predict

Sugi Predict / Compounds / SCHEMBL6846589

SCHEMBL6846589

SCHEMBL6846589

Cc1ccc2cc(NC(=O)c3cccc(C[PH](c4ccccc4)(c4ccccc4)c4ccccc4)c3I)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ OPRL1 P41146 11/20 0.45
▸ KDR P35968 1/20 0.44
▸ PIR O00625 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ HSF1 Q00613 1/20 0.42

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
Iodide SCHEMBL6846595 0.78 NPC1 (0.67) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL2176831 0.73 NPC1 (1.00) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL6845337 0.68 NPC1 (0.70) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL2529343 0.68 RAB9A (1.00) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL8355880 0.67 NPC1 (0.68) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL6846724 0.67 NPC1 (0.76) NPC1RAB9AKDM4EPOLBMEN1
Iodide SCHEMBL6846592 0.66 NPC1 (0.69) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL6848314 0.66 NPC1 (0.57) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL2175124 0.66 NPC1 (0.67) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL6841245 0.66 NPC1 (0.70) NPC1RAB9AKDM4EPOLBMEN1

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 NPC1 4543/4885RAB9A 1183/4885KDM4E 1227/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPC1 4543/4885RAB9A 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.