SCHEMBL13608205

SCHEMBL13608205

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1c(Cl)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
USP1 O94782 10/20 0.37
HTR6 P50406 3/20 0.37
MAOB P27338 2/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRKCQ Q04759 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
JAK1 P23458 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
SCHEMBL13620416 0.90 KDM1A (0.37) KDM1AUSP1HTR6MAOBADORA3
SCHEMBL12371640 0.90 KDM1A (0.46) KDM1AUSP1HTR6MAOBJAK2
SCHEMBL12371656 0.90 KDM1A (0.46) KDM1AUSP1HTR6MAOBJAK2
SCHEMBL12371633 0.90 KDM1A (0.46) KDM1AUSP1HTR6MAOBJAK2
SCHEMBL13608286 0.87 KDM1A (0.44) KDM1AUSP1JAK2JAK3CYP3A4
SCHEMBL13608200 0.87 KDM1A (0.39) KDM1AUSP1HTR6MAOBCYP3A4
SCHEMBL13608387 0.86 ADORA3 (0.48) KDM1AUSP1HTR6MAOBADORA3
SCHEMBL12371638 0.86 ADORA2A (0.45) KDM1AUSP1JAK2JAK3CYP3A4
SCHEMBL12397531 0.86 KDM1A (0.43) KDM1AUSP1JAK2JAK3CYP3A4
SCHEMBL13608275 0.86 ADORA2A (0.45) KDM1AUSP1JAK2JAK3CYP3A4

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 1070/4885USP1 3253/4885HTR6 3370/4885

“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.