SCHEMBL482013

SCHEMBL482013

COC1CCC(c2cnc(N)c(N)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.43
MAP3K12 Q12852 2/20 0.37
MAP4K4 O95819 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
PARP1 P09874 1/20 0.34
ATR Q13535 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL482014 1.00 MAPK1 (0.43) MAPK1MAP3K12MAP4K4MAPKAPK2PARP1
SCHEMBL16680537 0.86 MAPK1 (0.41) MAPK1MAP3K12MAP4K4MAPKAPK2PARP1
SCHEMBL16680538 0.86 MAPK1 (0.41) MAPK1MAP3K12MAP4K4MAPKAPK2PARP1
SCHEMBL15205265 0.86 MAPKAPK2 (0.41) MAPK1MAPKAPK2ATRKDM4EALDH1A1
SCHEMBL481969 0.80 CNR2 (0.36) MAPK1MAP3K12MAP4K4MAPKAPK2ATR
SCHEMBL481968 0.80 CNR2 (0.36) MAPK1MAP3K12MAP4K4MAPKAPK2ATR
SCHEMBL16678940 0.78 ALOX5AP (0.38) MAPK1MAP3K12PIK3CA
SCHEMBL16678939 0.78 ALOX5AP (0.38) MAPK1MAP3K12PIK3CA
SCHEMBL16684552 0.77 MAPK1 (0.43) MAPK1MAP3K12MAPKAPK2PIK3CA
SCHEMBL16690721 0.77 MAPK1 (0.43) MAPK1MAP3K12MAPKAPK2PIK3CA

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 MAPK1 455/4885MAP3K12 69/4885MAP4K4 208/4885

“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.