SCHEMBL2800776

SCHEMBL2800776

O=c1cnc2cccc(Br)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NOS1 P29475 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
CDK9 P50750 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
DYRK2 Q92630 1/20 0.37
DAO P14920 1/20 0.37
HCAR1 Q9BXC0 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 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
SCHEMBL5318244 0.78 KDM4E (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3DAO
SCHEMBL2365284 0.78 CA12 (0.50) CA12CA9NOS1MAPKAPK2RPS6KA3
SCHEMBL1043395 0.78 MAPKAPK2 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3DAO
SCHEMBL30297088 0.78 CA12 (0.50) CA12CA9NOS1MAPKAPK2RPS6KA3
SCHEMBL30297078 0.78 CA12 (0.50) CA12CA9NOS1MAPKAPK2RPS6KA3
SCHEMBL24156864 0.75 MAPKAPK2 (0.37) CA12CA9MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL30218628 0.75 MAPKAPK2 (0.37) CA12CA9MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL18739119 0.74 RPS6KA3 (0.39) CA12CA9MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL22654726 0.74 UPP1 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3DYRK1A
SCHEMBL15935194 0.74 KIF11 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1

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-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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 (2 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 CA12 4461/4885CA9 2307/4885NOS1 376/4885
US-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 CA12 4046/4885CA9 2682/4885NOS1 911/4885

“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.