SCHEMBL13608147

SCHEMBL13608147

CC(c1cc(Cl)ccc1Cl)n1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
BRD4 O60885 2/20 0.36
ATAD2 Q6PL18 2/20 0.36
CCNT1 O60563 8/20 0.35
CDK9 P50750 3/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
KDM1A O60341 1/20 0.34
IKBKB O14920 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAPK1 P28482 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL13608301 0.84 JAK2 (0.42) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL13608288 0.84 JAK2 (0.42) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL3851510 0.84 JAK2 (0.42) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL13620035 0.84 JAK2 (0.42) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL3851502 0.84 JAK2 (0.42) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL13608146 0.77 BRD4 (0.41) BRD4ATAD2CCNT1CDK9MAPK1
SCHEMBL13608226 0.76 KDM1A (0.41) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL13608412 0.76 KDM1A (0.41) BRD4ATAD2JAK2JAK1KDM1A
SCHEMBL13608198 0.76 BRD4 (0.40) BRD4ATAD2CCNT1CDK9JAK2
SCHEMBL13608469 0.75 CDK9 (0.43) BRD4ATAD2CCNT1CDK9JAK2

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 EGFR 4116/4885BRD4 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.