SCHEMBL6760748

SCHEMBL6760748

CCn1nc(C)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.41
RGS4 P49798 1/20 0.34
RGS8 P57771 1/20 0.34
POLB P06746 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
PTPN7 P35236 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL19608595 0.78 PTGS1 (0.40) ALDH1A1MAPTTHRBHTTSMN1; SMN2
SCHEMBL3099707 0.77 ALDH1A1 (0.48) POLBRAB9AALDH1A1L3MBTL1CYP2C19
SCHEMBL14372251 0.76 RGS4 (0.33) BRD9RGS4RGS8
SCHEMBL14372294 0.76 RGS4 (0.33) BRD9RGS4RGS8MAPTL3MBTL1
SCHEMBL17812986 0.75 AURKA (0.32) RAB9ASMN1; SMN2NPC1
SCHEMBL12293930 0.72 KMT2A (0.35) RGS4RGS8KDM4EMEN1ALDH1A1
SCHEMBL14372274 0.72 BRD9 (0.39) BRD9RGS4RGS8MAPT
SCHEMBL15782232 0.72 BRD9 (0.33) BRD9RGS4RGS8KMT2A
SCHEMBL14372246 0.72 RGS4 (0.31) RGS4RGS8ALDH1A1KMT2A
SCHEMBL6760743 0.72 BRD9 (0.39) BRD9RGS4RGS8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 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 (3 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 BRD9 667/4885RGS4 1916/4885RGS8 3320/4885
US-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 BRD9 1905/4885RGS4 3191/4885RGS8 4137/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 BRD9 605/4885RGS4 1529/4885RGS8 1185/4885

“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.