SCHEMBL1036038

SCHEMBL1036038

Brc1ccnc2[nH]cc(Br)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
AXL P30530 1/20 0.52
PRKCI P41743 1/20 0.48
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 5/20 0.42
CDC42BPB Q9Y5S2 5/20 0.42
CDC42BPA Q5VT25 3/20 0.42
DAO P14920 1/20 0.41
LRRK2 Q5S007 5/20 0.41
JAK2 O60674 2/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PKM P14618 1/20 0.35
HTR2A P28223 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
SCHEMBL594143 0.83 PRKCI (0.46) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL31541397 0.83 PRKCI (0.46) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL31499098 0.82 CHEK1 (0.46) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL4583627 0.82 PRKCI (0.44) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL30543171 0.82 LRRK2 (0.49) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL4581941 0.82 LRRK2 (0.49) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL14158621 0.82 CHEK1 (0.46) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL2237935 0.82 LRRK2 (0.57) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL21632471 0.82 AXL (0.47) MAPK1AXLPRKCIROCK2ROCK1
SCHEMBL30279706 0.82 PRKCI (0.44) MAPK1AXLPRKCIROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110843-A1 HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS ALMIRALL, S.A. (ES) 2023-06-22 WO disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 EP disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 MAPK1 910/4885AXL 1949/4885PRKCI 1202/4885
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 MAPK1 2647/4885AXL 4219/4885PRKCI 4565/4885

“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.