SCHEMBL4398359

SCHEMBL4398359

Cc1ccc(NC(=O)C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 1/20 0.64
TP53 P04637 1/20 0.64
NFKB1 P19838 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
NOTUM Q6P988 1/20 0.56
AVPR1A P37288 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL4863126 0.83 POLB (0.83) SMN1; SMN2NPC1TP53NFKB1RAB9A
SCHEMBL4400998 0.81 SMN1; SMN2 (0.73) SMN1; SMN2POLBMAPTNOTUMMEN1
SCHEMBL13884534 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBMAPTLMNANOTUM
SCHEMBL28367564 0.79 NPC1 (1.00) SMN1; SMN2NPC1TP53NFKB1RAB9A
SCHEMBL7355637 0.77 AVPR1A (0.77) AVPR1A
SCHEMBL3456488 0.77 HPGD (0.83) SMN1; SMN2NPC1RAB9ALMNAAVPR1A
SCHEMBL11326409 0.74 SMN1; SMN2 (0.83) SMN1; SMN2POLBMAPTGAANOTUM
SCHEMBL4401161 0.74 RAB9A (0.76) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL7601844 0.74 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL30956358 0.74 SMN1; SMN2 (0.76) SMN1; SMN2POLBMAPTNOTUMMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-8067436-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) 2011-11-29 US 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
US-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET SMN1; SMN2 4421/4885NPC1 3618/4885TP53 358/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF SMN1; SMN2 4127/4885NPC1 3103/4885TP53 167/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 SMN1; SMN2 4679/4885NPC1 3278/4885TP53 545/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SMN1; SMN2 4701/4885NPC1 3357/4885TP53 648/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SMN1; SMN2 4701/4885NPC1 3357/4885TP53 648/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 SMN1; SMN2 4679/4885NPC1 3278/4885TP53 545/4885

“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.