SCHEMBL13608286

SCHEMBL13608286

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1c(Cl)ccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
JAK2 O60674 4/20 0.36
JAK3 P52333 3/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
USP1 O94782 9/20 0.35
JAK1 P23458 1/20 0.35
CDK4 P11802 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKCQ Q04759 1/20 0.34
CDK6 Q00534 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL13608275 0.92 ADORA2A (0.45) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL12371638 0.92 ADORA2A (0.45) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL13608292 0.91 ADORA2A (0.40) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL12371656 0.90 KDM1A (0.46) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL12371633 0.90 KDM1A (0.46) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL12371640 0.90 KDM1A (0.46) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL13608205 0.87 KDM1A (0.42) KDM1AJAK2JAK3BRD4ATAD2
SCHEMBL12371653 0.87 ADORA2A (0.47) KDM1AADORA2AADORA1JAK2JAK3
SCHEMBL13608284 0.86 KDM1A (0.43) KDM1AJAK2JAK3BRD4ATAD2
SCHEMBL12397531 0.86 KDM1A (0.43) KDM1AADORA2AADORA1JAK2JAK3

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 KDM1A 1070/4885ADORA2A 975/4885ADORA1 1091/4885

“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.