SCHEMBL13620233

SCHEMBL13620233

Cc1ccc(C(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.38
BRD4 O60885 2/20 0.38
ATAD2 Q6PL18 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM1A O60341 1/20 0.35
USP1 O94782 4/20 0.35
FLT3 P36888 3/20 0.35
PTPN11 Q06124 1/20 0.34
CDK4 P11802 1/20 0.33
CDK6 Q00534 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
SCHEMBL12371644 0.87 ADORA2A (0.42) CHEK1ADORA2AADORA1KDM1AUSP1
SCHEMBL12371634 0.87 ADORA2A (0.42) CHEK1ADORA2AADORA1KDM1AUSP1
SCHEMBL12371642 0.84 CHEK1 (0.41) CHEK1BRD4ATAD2KDM1AFLT3
SCHEMBL12371681 0.84 CHEK1 (0.41) CHEK1BRD4ATAD2KDM1AFLT3
SCHEMBL12371637 0.84 CHEK1 (0.41) CHEK1BRD4ATAD2KDM1AFLT3
SCHEMBL12371650 0.83 CHEK1 (0.41) CHEK1ADORA2AKDM1AFLT3PTPN11
SCHEMBL12371641 0.83 CHEK1 (0.41) CHEK1ADORA2AKDM1AFLT3PTPN11
SCHEMBL12371657 0.83 CHEK1 (0.41) CHEK1ADORA2AKDM1AFLT3PTPN11
SCHEMBL12371694 0.83 ADORA2A (0.41) CHEK1BRD4ATAD2ADORA2AADORA1
SCHEMBL12371653 0.83 ADORA2A (0.47) BRD4ATAD2ADORA2AADORA1KDM1A

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.