SCHEMBL2507230

SCHEMBL2507230

CNC(=O)c1cccc2ncn(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
JAK1 P23458 8/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
PLK1 P53350 1/20 0.38
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL2508195 0.83 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C9NPC1
SCHEMBL30358449 0.75 CYP2C9 (0.37) USP2JAK1DRD2DRD3CYP2C9
SCHEMBL2508692 0.70 TP53 (0.39) JAK1TP53ALDH1A1CYP2C9PLK1
SCHEMBL2505347 0.70 TP53 (0.39) JAK1TP53ALDH1A1CYP2C9PLK1
SCHEMBL2505077 0.68 PIK3CD (0.38) JAK1TP53CYP2C9PLK1
SCHEMBL2505074 0.68 PIK3CD (0.38) JAK1TP53CYP2C9PLK1
SCHEMBL31079744 0.68 MAP4K1 (0.56)
SCHEMBL31079922 0.67 MAP4K1 (0.56)
SCHEMBL23925485 0.66 OPRK1 (0.43) JAK1TP53ALDH1A1
SCHEMBL13853782 0.66 USP2 (0.71) USP2DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 USP2 1124/4885JAK1 232/4885DRD2 2938/4885

“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.