SCHEMBL2210310

SCHEMBL2210310

CO[C@H]1CC[C@H](Nc2nc(Br)cnc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.44
MAPK9 P45984 6/20 0.43
GBA1 P04062 1/20 0.42
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
ADORA2A P29274 1/20 0.36
CD38 P28907 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
SCHEMBL2210308 1.00 MAPK8 (0.44) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL15204665 0.88 ADORA2A (0.42) JAK1TYK2ADORA2A
SCHEMBL20169737 0.84 MAPK8 (0.41) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL4409860 0.82 JAK1 (0.42) GBA1JAK1TYK2ADORA2A
SCHEMBL4409858 0.82 JAK1 (0.42) GBA1JAK1TYK2ADORA2A
SCHEMBL4509072 0.81 MAP3K11 (0.47) MAPK8MAPK9JAK1
SCHEMBL15003293 0.81 MAPK8 (0.39) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL482035 0.81 MERTK (0.41) MAPK8MAPK9ADORA2A
SCHEMBL482033 0.81 MERTK (0.41) MAPK8MAPK9ADORA2A
SCHEMBL4407124 0.80 PDE10A (0.39) MAPK8MAPK9JAK1TYK2ADORA2A

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 7 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
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 (1 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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAPK8 353/4885MAPK9 565/4885GBA1 1271/4885

“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.