SCHEMBL13608117

SCHEMBL13608117

Cc1c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)cccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
USP1 O94782 12/20 0.38
PRKCQ Q04759 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL13608313 0.92 KDM1A (0.43) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL12371646 0.91 KDM1A (0.44) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL12371667 0.91 KDM1A (0.44) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL12371639 0.91 KDM1A (0.44) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL13608116 0.89 USP1 (0.40) USP1BRD4ATAD2JAK2JAK3
SCHEMBL13608304 0.87 BRD4 (0.41) KDM1AUSP1PRKCQBRD4ATAD2
SCHEMBL12371647 0.87 PRKCQ (0.48) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL12371664 0.87 PRKCQ (0.48) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL12371635 0.87 PRKCQ (0.48) KDM1AUSP1PRKCQCYP3A4CYP2C9
SCHEMBL13608120 0.86 KDM1A (0.38) KDM1AUSP1BRD4ATAD2ADORA3

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 3253/4885PRKCQ 3/4885

“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.