SCHEMBL13620503

SCHEMBL13620503

O=c1[nH]c2cnc(NC[C@@H]3CCCNC3)nc2n1Cc1cc(Cl)ccc1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
KDM1A O60341 1/20 0.34
CDK4 P11802 1/20 0.34
USP1 O94782 4/20 0.34
CCNT1 O60563 4/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
TPSAB1 Q15661 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
SCHEMBL13620502 1.00 CHEK1 (0.37) CHEK1BRD4ATAD2CCNKCDK12
SCHEMBL13620234 0.95 KDM1A (0.39) CHEK1BRD4ATAD2KDM1ACDK4
SCHEMBL13620280 0.92 HSP90AA1 (0.36) USP1HSP90AA1HSP90B1TRAP1
SCHEMBL13608269 0.88 BRD4 (0.43) CHEK1BRD4ATAD2KDM1ACDK4
SCHEMBL13608257 0.88 BRD4 (0.43) CHEK1BRD4ATAD2KDM1ACDK4
SCHEMBL13608322 0.85 HSP90AA1 (0.44) BRD4ATAD2KDM1ACDK4USP1
SCHEMBL13608341 0.84 KDM1A (0.44) BRD4ATAD2KDM1AUSP1
SCHEMBL13608142 0.84 KDM1A (0.44) CHEK1BRD4ATAD2KDM1ACDK4
SCHEMBL13608260 0.83 BRD4 (0.42) BRD4ATAD2KDM1ACDK4USP1
SCHEMBL12371697 0.82 PRKCQ (0.43) CHEK1BRD4ATAD2KDM1ACDK4

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 CHEK1 588/4885BRD4 1920/4885ATAD2 3413/4885

“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.