SCHEMBL13620252

SCHEMBL13620252

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
KDM1A O60341 1/20 0.36
CHEK1 O14757 2/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
JAK2 O60674 4/20 0.35
JAK3 P52333 4/20 0.35
PTPN11 Q06124 1/20 0.35
TNIK Q9UKE5 1/20 0.34
DDR1 Q08345 4/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL13620399 0.91 TRAP1 (0.47) USP1HSP90AA1HSP90B1TRAP1KDM1A
SCHEMBL13608322 0.89 HSP90AA1 (0.44) USP1HSP90AA1HSP90B1TRAP1KDM1A
SCHEMBL13620423 0.89 USP1 (0.38) USP1HSP90AA1HSP90B1TRAP1KDM1A
SCHEMBL13608379 0.89 BRD4 (0.40) USP1HSP90AA1HSP90B1TRAP1KDM1A
SCHEMBL13620509 0.89 KDM1A (0.37) USP1HSP90AA1HSP90B1TRAP1KDM1A
SCHEMBL13620429 0.88 PIM1 (0.36) KDM1ACHEK1BRD4ATAD2JAK2
SCHEMBL12371715 0.87 USP1 (0.45) USP1TNIKGRIN1GRIN2BADORA2A
SCHEMBL12371698 0.87 JAK2 (0.41) USP1KDM1ABRD4ATAD2JAK2
SCHEMBL12371642 0.85 CHEK1 (0.41) KDM1ACHEK1BRD4ATAD2JAK2
SCHEMBL12371637 0.85 CHEK1 (0.41) KDM1ACHEK1BRD4ATAD2JAK2

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 USP1 3253/4885HSP90AA1 3427/4885HSP90B1 2327/4885

“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.