SCHEMBL2654650

SCHEMBL2654650

CNC(=O)C(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.47
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL13116120 0.98 SMN1; SMN2 (0.44) SMN1; SMN2GAALMNACYP2C9ALDH1A1
SCHEMBL19465036 0.79 TDP1 (0.50) ALDH1A1POLBHPGD
SCHEMBL22962053 0.77 CA2 (0.45) ALDH1A1POLBHPGD
SCHEMBL13884525 0.77 SMN1; SMN2 (0.45) SMN1; SMN2GAALMNACYP2C9ALDH1A1
SCHEMBL8649731 0.77 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1KMT2ARAB9A
SCHEMBL19677922 0.77 POLB (0.44) SMN1; SMN2GAALMNAALDH1A1KMT2A
SCHEMBL10783460 0.76 ALDH1A1 (0.53) SMN1; SMN2GAALMNACYP2C9ALDH1A1
SCHEMBL8024247 0.76 ALDH1A1 (0.61) GAALMNAALDH1A1KMT2APOLB
SCHEMBL4261207 0.76 ALDH1A1 (0.61) GAALMNAALDH1A1KMT2APOLB
SCHEMBL4840666 0.76 ALDH1A1 (0.61) GAALMNAALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO claimed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-8476298-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2013-07-02 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 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-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 US disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 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
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 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 (5 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 4421/4885GAA 3255/4885LMNA 2924/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF SMN1; SMN2 4127/4885GAA 3610/4885LMNA 3678/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 SMN1; SMN2 4679/4885GAA 3321/4885LMNA 3245/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SMN1; SMN2 4701/4885GAA 3321/4885LMNA 3308/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SMN1; SMN2 4701/4885GAA 3321/4885LMNA 3308/4885

“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.