SCHEMBL481968

SCHEMBL481968

COCC1CCC(c2cnc(N)c(N)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.36
MAPKAPK2 P49137 3/20 0.36
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
MAP4K4 O95819 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MAP3K12 Q12852 3/20 0.34
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL481969 1.00 CNR2 (0.36) CNR2MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL15205265 0.82 MAPKAPK2 (0.41) MAPKAPK2KDM4EALDH1A1HPGDTSHR
SCHEMBL482014 0.80 MAPK1 (0.43) MAPKAPK2KDM4EALDH1A1HPGDTSHR
SCHEMBL482013 0.80 MAPK1 (0.43) MAPKAPK2KDM4EALDH1A1HPGDTSHR
SCHEMBL30067870 0.72 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1HPGDTSHR
SCHEMBL26647343 0.72 KDM4E (0.38) MAPKAPK2KDM4EALDH1A1HPGDTSHR
SCHEMBL2320740 0.71 HRH4 (0.40) MAP3K12ATR
SCHEMBL17987918 0.70 MAPKAPK2 (0.39) MAPKAPK2JAK2JAK1JAK3MAP3K12
SCHEMBL31210953 0.70 MAPKAPK2 (0.39) MAPKAPK2JAK2JAK1JAK3MAP3K12
SCHEMBL26795170 0.70 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1HPGDTSHR

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 CNR2 1224/4885MAPKAPK2 117/4885KDM4E 2244/4885

“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.