SCHEMBL13620392

SCHEMBL13620392

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 19/20 0.42
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL13620236 0.91 PIM1 (0.42) DDR1PIM1FLT3KCNH2PIM3
SCHEMBL13620277 0.89 PIM1 (0.42) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL13608271 0.87 CCNT1 (0.39) DDR1
SCHEMBL13620267 0.85 DDR1 (0.40) DDR1PIM1
SCHEMBL13620232 0.80 KDM4E (0.38) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL13620505 0.80 ADORA2A (0.41) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL13620507 0.79 PIM1 (0.38) DDR1PIM1FLT3KCNH2PIM3
SCHEMBL13620423 0.79 USP1 (0.38) DDR1
SCHEMBL13620230 0.79 BRD4 (0.37) DDR1PIM1FLT3KCNH2PIM3
SCHEMBL3848468 0.79 MCHR1 (0.42) DDR1

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 DDR1 3201/4885PIM1 596/4885FLT3 1554/4885

“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.