SCHEMBL482190

SCHEMBL482190

CC(C)(C)OC(=O)n1cnc2cc(Br)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
AAK1 Q2M2I8 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
GRM5 P41594 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
BCHE P06276 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
DGAT1 O75907 1/20 0.31
PIK3CD O00329 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL482245 0.81 GRM5 (0.34) GRM5HSP90AA1HSP90AB1BCHEGABRG2
SCHEMBL30991726 0.79 F13A1 (0.34) PIK3CAGRM5HSP90AA1HSP90AB1GABRG2
SCHEMBL25702461 0.79 F13A1 (0.34) PIK3CAGRM5HSP90AA1HSP90AB1GABRG2
SCHEMBL30847454 0.78 SIK1 (0.44) PIK3R1PIK3CAHSP90AA1HSP90AB1BCHE
SCHEMBL559567 0.78 SIK1 (0.44) PIK3R1PIK3CAHSP90AA1HSP90AB1BCHE
SCHEMBL481960 0.77 HSD17B10 (0.38) HSD17B10GRM5ENPP3ENPP1KDM4E
SCHEMBL13554542 0.77 ENPP3 (0.50) HSD17B10AAK1PIK3R1PIK3CAHSP90AA1
SCHEMBL19411567 0.77 AAK1 (0.38) HSD17B10AAK1PIK3R1PIK3CAHSP90AA1
SCHEMBL30992116 0.77 ENPP3 (0.50) HSD17B10AAK1PIK3R1PIK3CAHSP90AA1
SCHEMBL1885391 0.76 GABRG2 (0.37) HSD17B10AAK1PIK3R1PIK3CAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642450-A2 EP2 ANTAGONIST COMPOUNDS Reservoir Neuroscience, Inc. (US) 2025-11-05 EP disclosed
WO-2024145259-A2 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2024-07-04 WO disclosed
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
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA HSD17B10 1492/4885AAK1 993/4885PIK3R1 461/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 HSD17B10 994/4885AAK1 710/4885PIK3R1 204/4885

“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.