SCHEMBL2389905

SCHEMBL2389905

CCCC[Sn](CCCC)(CCCC)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GRM2 Q14416 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
ENPP2 Q13822 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
GSK3B P49841 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17095072 0.83
SCHEMBL31281183 0.82 ENPP2 (0.40) DRD2DRD3CTSSCTSKKCNN4
SCHEMBL1453582 0.79 TSHR (0.46) DRD2DRD3TSHRHSD17B10
SCHEMBL3221521 0.77 TSHR (0.45) CNR1CNR2GRM2TSHRCASP1
SCHEMBL7971066 0.75 RAF1 (0.33) DRD2DRD3TSHRHSD17B10
SCHEMBL5953196 0.75 KMT2A (0.41)
SCHEMBL1453524 0.75 ACHE (0.41) CYP2D6NPSR1
SCHEMBL6790593 0.74 GLA (0.43) DRD2DRD3CNR1CNR2KCNN4
SCHEMBL5953069 0.74 DRD3 (0.40) DRD2DRD3TSHRHSD17B10
SCHEMBL2864353 0.74 ACHE (0.38) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10001467-A None JP disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG 2011-12-01 US disclosed
US-8012988-B2 N-(2,4-dioxo-6-(tetrahydrofuran-2-yl)-7-(trifluoromethyl)-1,4-dihydro-2H-quinazolin-3-yl)methanesulfonamide NOVARTIS AG (CH) 2011-09-06 US disclosed
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES NOVARTIS AG 2010-06-10 US disclosed
US-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
JP-H101467-A BIPHENYLAMIDINE DERIVATIVE BANYU PHARMACEUT CO LTD 1998-01-06 JP 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-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 DRD2 157/4885DRD3 327/4885CNR1 153/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 DRD2 151/4885DRD3 255/4885CNR1 205/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A DRD2 1803/4885DRD3 1868/4885CNR1 3117/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI DRD2 4243/4885DRD3 3530/4885CNR1 481/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 DRD2 157/4885DRD3 327/4885CNR1 153/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885DRD3 1784/4885CNR1 2748/4885

“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.