SCHEMBL481912

SCHEMBL481912

CO[C@H]1CC[C@H](Cc2cnc(N)c(N)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
GRM1 Q13255 2/20 0.33
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK1 P28482 1/20 0.31
DAO P14920 1/20 0.31
PI4KB Q9UBF8 1/20 0.30
MAPK8 P45983 2/20 0.30
MAPK9 P45984 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
SCHEMBL481911 1.00 MAP4K4 (0.33) MAP4K4GRM1PIK3R1PIK3CAMAPK1
SCHEMBL482011 0.79 CYP11B2 (0.41)
SCHEMBL481935 0.76 CYP11B2 (0.40) PIK3R1PIK3CAMAPK1
SCHEMBL29313468 0.76 CYP11B2 (0.32)
SCHEMBL482013 0.73 MAPK1 (0.43) MAP4K4PIK3R1PIK3CAMAPK1
SCHEMBL482014 0.73 MAPK1 (0.43) MAP4K4PIK3R1PIK3CAMAPK1
SCHEMBL481577 0.71 MCHR1 (0.39) MAP4K4PIK3R1PIK3CA
SCHEMBL4407124 0.68 PDE10A (0.39) MAPK8MAPK9
SCHEMBL4407126 0.68 PDE10A (0.39) MAPK8MAPK9
SCHEMBL481798 0.66 ADRA2A (0.39)

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 MAP4K4 208/4885GRM1 3094/4885PIK3R1 461/4885

“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.