SCHEMBL3376884

SCHEMBL3376884

Cn1c(=O)[nH]c2cc(Br)ccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.61
ADORA2B P29275 2/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
METAP2 P50579 1/20 0.50
HTR3A P46098 1/20 0.45
PTGES O14684 1/20 0.45
MAPT P10636 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CA9 Q16790 3/20 0.43
FEN1 P39748 2/20 0.43
CA12 O43570 2/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42

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
SCHEMBL30581043 1.00 ADORA3 (0.61) ADORA3ADORA2BADORA2AADORA1METAP2
SCHEMBL9919008 0.88 ADORA3 (0.64) ADORA3ADORA2BADORA2AADORA1MAPT
SCHEMBL31709875 0.88 ADORA3 (0.64) ADORA3ADORA2BADORA2AADORA1MAPT
SCHEMBL9919004 0.82 ADORA3 (0.61) ADORA3ADORA2BADORA2AADORA1HTR3A
SCHEMBL709045 0.81 FEN1 (0.66) ADORA3ADORA2BADORA2AADORA1HTR3A
SCHEMBL9919009 0.81 CA9 (0.66) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL9923021 0.81 ADORA3 (0.59) ADORA3ADORA2BADORA2AADORA1HTR3A
SCHEMBL12928421 0.81 ADORA3 (0.59) ADORA3ADORA2BADORA2AADORA1HTR3A
SCHEMBL625508 0.80 MAPT (0.59) ADORA3ADORA2BADORA2AADORA1METAP2
SCHEMBL29502169 0.80 MAPT (0.59) ADORA3ADORA2BADORA2AADORA1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
EP-2678016-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-08-10 EP disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 US disclosed
US-9295673-B2 Combination of mTOR inhibitors and P13-kinase inhibitors, and uses thereof INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2015-03-26 US disclosed
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2015-03-26 US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 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 (8 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ADORA3 2189/4885ADORA2B 3308/4885ADORA2A 1459/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 ADORA3 1949/4885ADORA2B 2125/4885ADORA2A 1648/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ADORA3 2189/4885ADORA2B 3308/4885ADORA2A 1459/4885
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 ADORA3 1200/4885ADORA2B 1372/4885ADORA2A 1064/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 ADORA3 1419/4885ADORA2B 1579/4885ADORA2A 1340/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ADORA3 2189/4885ADORA2B 3308/4885ADORA2A 1459/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR ADORA3 2664/4885ADORA2B 3104/4885ADORA2A 2585/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 ADORA3 2469/4885ADORA2B 2255/4885ADORA2A 1760/4885

“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.