SCHEMBL13620277

SCHEMBL13620277

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.42
FLT3 P36888 3/20 0.42
PIM3 Q86V86 3/20 0.42
PIM2 Q9P1W9 3/20 0.42
KCNH2 Q12809 2/20 0.42
DPP4 P27487 1/20 0.39
BRD4 O60885 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
PRMT5 O14744 1/20 0.36
PRKCQ Q04759 1/20 0.36
BIRC2 Q13490 1/20 0.35
CXCR2 P25025 1/20 0.35
C5AR1 P21730 1/20 0.34

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
SCHEMBL13620392 0.89 DDR1 (0.42) PIM1FLT3PIM3PIM2KCNH2
SCHEMBL13620236 0.89 PIM1 (0.42) PIM1FLT3PIM3PIM2KCNH2
SCHEMBL13620302 0.87 DPP4 (0.44) PIM1FLT3PIM3PIM2KCNH2
SCHEMBL13620505 0.87 ADORA2A (0.41) PIM1FLT3PIM3PIM2KCNH2
SCHEMBL12371645 0.87 PRKCQ (0.43) DPP4BRD4CYP2C9HTR2CHTR2B
SCHEMBL12371632 0.87 PRKCQ (0.43) DPP4BRD4CYP2C9HTR2CHTR2B
SCHEMBL12371661 0.87 PRKCQ (0.43) DPP4BRD4CYP2C9HTR2CHTR2B
SCHEMBL13608282 0.85 BRD4 (0.42) PIM1PIM3BRD4HTR2CPRMT5
SCHEMBL13620029 0.84 BRD4 (0.42) PIM1FLT3PIM3PIM2KCNH2
SCHEMBL13620077 0.82 PRKCQ (0.42) DPP4BRD4HTR2CHTR2BHSD17B13

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 596/4885FLT3 1554/4885PIM3 592/4885

“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.