SCHEMBL13608271

SCHEMBL13608271

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.39
CDK9 P50750 4/20 0.39
DDR1 Q08345 6/20 0.39
MAOB P27338 2/20 0.37
HTR6 P50406 2/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90B1 P14625 2/20 0.36
TRAP1 Q12931 2/20 0.36
BIRC2 Q13490 1/20 0.35
OPRM1 P35372 1/20 0.34
KDM1A O60341 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 0.87 DDR1 (0.42) DDR1
SCHEMBL13608142 0.86 KDM1A (0.44) DDR1MAOBHTR6BRD4ATAD2
SCHEMBL2269372 0.84 BIRC2 (0.39) CCNT1CDK9MAOBHTR6BRD4
SCHEMBL2269378 0.84 BIRC2 (0.39) CCNT1CDK9MAOBHTR6BRD4
SCHEMBL2274339 0.84 BIRC2 (0.39) CCNT1CDK9MAOBHTR6BRD4
SCHEMBL13608282 0.83 BRD4 (0.42) BRD4ATAD2BIRC2
SCHEMBL13608172 0.81 BRD4 (0.41) DDR1MAOBHTR6BRD4ATAD2
SCHEMBL13620505 0.80 ADORA2A (0.41) BIRC2
SCHEMBL13620507 0.79 PIM1 (0.38) CCNT1DDR1BRD4ATAD2
SCHEMBL13608342 0.79 BIRC2 (0.40) CCNT1CDK9MAOBHTR6BRD4

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 2 patents. 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
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 CCNT1 1707/4885CDK9 355/4885DDR1 3201/4885

“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.