SCHEMBL482124

SCHEMBL482124

NC(=O)C1CCC(Nc2nc(Br)cnc2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.42
SYK P43405 7/20 0.41
CD38 P28907 1/20 0.41
MAPK3 P27361 2/20 0.39
MAPK6 Q16659 1/20 0.39
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TYK2 P29597 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL482125 1.00 BTK (0.45) BTKPDGFRBPDGFRAIRAK4SYK
SCHEMBL15204665 0.87 ADORA2A (0.42) IRAK4SYKJAK1TYK2
SCHEMBL482033 0.82 MERTK (0.41) BTKMAPK8
SCHEMBL482035 0.82 MERTK (0.41) BTKMAPK8
SCHEMBL481582 0.79 JAK1 (0.42) BTKMAPK6JAK1TYK2
SCHEMBL481581 0.79 JAK1 (0.42) BTKMAPK6JAK1TYK2
SCHEMBL12069879 0.77 PDE10A (0.47) BTKIRAK4JAK1JAK2
SCHEMBL20886272 0.76 PDGFRB (0.45) BTKPDGFRBPDGFRAIRAK4SYK
SCHEMBL2210310 0.76 MAPK8 (0.44) CD38JAK1TYK2MAPK8
SCHEMBL2210308 0.76 MAPK8 (0.44) CD38JAK1TYK2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 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 (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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA BTK 77/4885PDGFRB 879/4885PDGFRA 1259/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 BTK 48/4885PDGFRB 1258/4885PDGFRA 1691/4885

“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.