SCHEMBL1106473

SCHEMBL1106473

CC(C)n1ccnc1CN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 1/20 0.32
FPR2 P25090 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NR3C1 P04150 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL4077931 0.81 MAPT (0.35) ADORA2AADORA1ADORA2BADORA3FPR2
Water SCHEMBL28820983 0.80 ADORA3 (0.32) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5654711 0.79 ADORA3 (0.35) ADORA2AADORA1ADORA2BADORA3SMN1; SMN2
SCHEMBL16198470 0.79 KEAP1 (0.32) KEAP1
SCHEMBL13439283 0.79 ADORA3 (0.33) ADORA2AADORA1ADORA2BADORA3FPR2
SCHEMBL859290 0.79 NR3C1 (0.33) ADORA2AADORA1ADORA2BADORA3FPR2
SCHEMBL14254645 0.78 KCNH2 (0.35) ADORA2AADORA1ADORA2BADORA3SMN1; SMN2
SCHEMBL23043665 0.76 ADORA3 (0.36) ADORA2AADORA1ADORA2BADORA3FPR2
SCHEMBL21025341 0.76 FDPS (0.33) ADORA2AADORA1ADORA2BADORA3FPR2
SCHEMBL1106505 0.76 TSHR (0.33) ADORA2AADORA1ADORA2BADORA3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212629-A1 COMPOSITIONS AND METHODS FOR PRODUCING CIRCULAR POLYRIBONUCLEOTIDES FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2023-07-06 US disclosed
US-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF TRUSTEES OF TUFTS COLLEGE 2020-11-26 US disclosed
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-08-25 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-9243001-B2 Substituted benzene compounds Epizyme, Inc. (US) 2016-01-26 US disclosed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 WO disclosed
US-20140315945-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-10-23 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ADORA2A 1531/4885ADORA1 1096/4885ADORA2B 858/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 ADORA2A 2282/4885ADORA1 2333/4885ADORA2B 704/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ADORA2A 1531/4885ADORA1 1096/4885ADORA2B 858/4885
US-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF APOB, LDLR, LIPA ADORA2A 1102/4885ADORA1 936/4885ADORA2B 763/4885
US-20140315945-A1 Substituted Benzene Compounds VHL, AHR, TP53 ADORA2A 2680/4885ADORA1 2071/4885ADORA2B 1075/4885
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS VHL, AHR, TP53 ADORA2A 2680/4885ADORA1 2071/4885ADORA2B 1075/4885

“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.