SCHEMBL13620417

SCHEMBL13620417

N#Cc1cccc(C#N)c1Cn1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
PRKCQ Q04759 1/20 0.39
JAK1 P23458 3/20 0.38
CHEK1 O14757 2/20 0.38
TYK2 P29597 1/20 0.38
USP1 O94782 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
CSNK2A1 P68400 1/20 0.35
VNN1 O95497 1/20 0.35
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL13620050 0.94 KDM1A (0.49) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL13608222 0.92 KDM1A (0.41) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL13608204 0.91 KDM1A (0.45) KDM1AJAK2JAK3CHEK1USP1
SCHEMBL12371633 0.87 KDM1A (0.46) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL12371656 0.87 KDM1A (0.46) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL12371653 0.87 ADORA2A (0.47) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL12371640 0.87 KDM1A (0.46) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL13608387 0.85 ADORA3 (0.48) KDM1AUSP1CDK4
SCHEMBL13608202 0.84 KDM1A (0.40) KDM1AJAK2JAK3PRKCQJAK1
SCHEMBL12397531 0.83 KDM1A (0.43) KDM1AJAK2JAK3PRKCQJAK1

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 KDM1A 1070/4885JAK2 1072/4885JAK3 1062/4885

“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.