Sugi Predict

Sugi Predict / Compounds / SCHEMBL372022

SCHEMBL372022

SCHEMBL372022

COc1cc2nc(C)nc(Oc3ccc([N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.50
▸ PDGFRA P16234 3/20 0.50
▸ HTT P42858 2/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL372223 0.81 LMNA (0.47) KDRPDGFRAHTTLMNA
SCHEMBL5565323 0.77 ABCG2 (0.69) KDRABCG2
SCHEMBL558651 0.75 PDGFRA (0.80) KDRPDGFRAPDGFRB
SCHEMBL8140684 0.73 PDE4A (0.55) KMT2AACHELMNA
SCHEMBL177794 0.71 CYP19A1 (0.60) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL5607380 0.71 ALDH1A1 (0.66) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL28466219 0.71 KDR (0.45) KDRPDGFRA
SCHEMBL30448317 0.71 KDR (0.45) KDRPDGFRA
SCHEMBL5568019 0.70 ABCG2 (0.80) ABCG2
SCHEMBL1087188 0.70 HTT (0.73) HTTMEN1KMT2ARXFP1ACHE

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 — — EP disclosed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 — — US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 — — US disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 — — US disclosed
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 — — EP disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 — — US disclosed
EP-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 — — EP disclosed
US-20160185725-A1 c-Met Modulators and Method of Use EXELIXIS, INC. 2016-06-30 — — US disclosed
US-20150376133-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. 2015-12-31 — — US disclosed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 — — US disclosed
EP-2210607-A1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-piperidin-1-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer Exelixis Inc. (US) 2010-07-28 — — EP disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 — — US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 — — US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 — — US disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 — — EP disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 — — US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 — — US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 — — US disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 — — EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 — — 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 (11 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 KDR 5/4885PDGFRA 173/4885HTT 4046/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 KDR 5/4885PDGFRA 182/4885HTT 4089/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 KDR 5/4885PDGFRA 182/4885HTT 4089/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 KDR 5/4885PDGFRA 182/4885HTT 4089/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET KDR 4/4885PDGFRA 63/4885HTT 3792/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 KDR 5/4885PDGFRA 173/4885HTT 4046/4885

“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.