SCHEMBL13620507

SCHEMBL13620507

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.38
DDR1 Q08345 3/20 0.36
DPP4 P27487 2/20 0.36
BRD3 Q15059 2/20 0.35
CHEK1 O14757 2/20 0.35
FLT3 P36888 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CCNT1 O60563 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
CACNA1H O95180 1/20 0.33
PTPN11 Q06124 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
SCHEMBL13620505 0.89 ADORA2A (0.41) PIM1DPP4FLT3KCNH2PIM3
SCHEMBL12371642 0.87 CHEK1 (0.41) DPP4CHEK1FLT3SLC6A2SLC6A4
SCHEMBL12371637 0.87 CHEK1 (0.41) DPP4CHEK1FLT3SLC6A2SLC6A4
SCHEMBL12371681 0.87 CHEK1 (0.41) DPP4CHEK1FLT3SLC6A2SLC6A4
SCHEMBL13620277 0.82 PIM1 (0.42) PIM1DPP4FLT3KCNH2PIM3
SCHEMBL13620037 0.81 CHEK1 (0.39) CHEK1FLT3CCNT1BRD4ATAD2
SCHEMBL13608282 0.80 BRD4 (0.42) PIM1PIM3BRD4ATAD2CHRM1
SCHEMBL13608271 0.79 CCNT1 (0.39) DDR1CCNT1BRD4ATAD2
SCHEMBL13620392 0.79 DDR1 (0.42) PIM1DDR1FLT3KCNH2PIM3
SCHEMBL13620236 0.79 PIM1 (0.42) PIM1DDR1FLT3KCNH2PIM3

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 PIM1 596/4885DDR1 3201/4885DPP4 3354/4885

“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.