SCHEMBL481595

SCHEMBL481595

Nc1ncc(CCC2CCOCC2)nc1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
TLR7 Q9NYK1 5/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
OPRL1 P41146 1/20 0.32
ATR Q13535 1/20 0.32
PDE8B O95263 1/20 0.32
CCNT1 O60563 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 1/20 0.31
MCHR1 Q99705 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3R1 P27986 1/20 0.30

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
SCHEMBL481935 0.84 CYP11B2 (0.40) DHFRDCPSTLR7PIK3CDPIK3CB
SCHEMBL481987 0.79 MAPT (0.38) MAPK1
SCHEMBL481577 0.78 MCHR1 (0.39) DHFRDCPSTLR7PIK3CDPIK3CB
SCHEMBL481743 0.72 SMN1; SMN2 (0.41) ATRPIK3CAMTORHSP90AA1MAPK1
SCHEMBL13097322 0.69 ESR2 (0.36) DAOOPRL1MTOR
SCHEMBL38662956 0.68 HRH1 (0.46)
SCHEMBL29520057 0.68 SMN1; SMN2 (0.54)
SCHEMBL1565335 0.68 DAO (0.35) DAODHFRDCPSTLR7OPRL1
SCHEMBL3961727 0.67 JAK3 (0.40) DHFRDCPSPIK3CDPIK3CBPIK3CG
SCHEMBL482011 0.67 CYP11B2 (0.41) ATRMTORMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA DAO 3083/4885DHFR 287/4885DCPS 3770/4885

“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.