SCHEMBL13620505

SCHEMBL13620505

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
EPHX2 P34913 8/20 0.40
PPARG P37231 4/20 0.40
PIM1 P11309 4/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM1 P11229 2/20 0.38
BIRC2 Q13490 1/20 0.37
FLT3 P36888 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DPP4 P27487 1/20 0.37
PRMT5 O14744 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL13620507 0.89 PIM1 (0.38) PIM1SLC6A2SLC6A4CHRM1FLT3
SCHEMBL13608282 0.87 BRD4 (0.42) PIM1CHRM1BIRC2PIM3PRMT5
SCHEMBL13620277 0.87 PIM1 (0.42) ADORA2AEPHX2PIM1BIRC2FLT3
SCHEMBL12371641 0.86 CHEK1 (0.41) ADORA2AEPHX2PPARGSLC6A2SLC6A4
SCHEMBL12371650 0.86 CHEK1 (0.41) ADORA2AEPHX2PPARGSLC6A2SLC6A4
SCHEMBL12371657 0.86 CHEK1 (0.41) ADORA2AEPHX2PPARGSLC6A2SLC6A4
SCHEMBL12371680 0.81 CHEK1 (0.42) ADORA2AEPHX2PPARGFLT3DPP4
SCHEMBL12371683 0.81 CHEK1 (0.42) ADORA2AEPHX2PPARGFLT3DPP4
SCHEMBL12371687 0.81 PRKCQ (0.44) ADORA2AEPHX2PPARGCHRM1FLT3
SCHEMBL2269378 0.80 BIRC2 (0.39) PIM1BIRC2FLT3KCNH2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ ADORA2A 975/4885EPHX2 1887/4885PPARG 1542/4885

“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.