SCHEMBL13608142

SCHEMBL13608142

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
PRKCQ Q04759 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TYRO3 Q06418 1/20 0.38
DDR1 Q08345 3/20 0.38
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
MAOB P27338 2/20 0.36
HTR6 P50406 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
USP1 O94782 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
CDK4 P11802 1/20 0.35
IDH1 O75874 1/20 0.35
CHEK1 O14757 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
SCHEMBL13608341 0.93 KDM1A (0.44) KDM1APRKCQCYP3A4CYP2C9DDR1
SCHEMBL13608322 0.92 HSP90AA1 (0.44) KDM1APRKCQCYP3A4CYP2C9DDR1
SCHEMBL13608260 0.92 BRD4 (0.42) KDM1APRKCQCYP3A4CYP2C9TYRO3
SCHEMBL3850532 0.92 KDM1A (0.43) KDM1APRKCQCYP3A4CYP2C9DDR1
SCHEMBL13608490 0.92 KDM1A (0.43) KDM1APRKCQCYP3A4CYP2C9BRD4
SCHEMBL3850531 0.92 KDM1A (0.43) KDM1APRKCQCYP3A4CYP2C9DDR1
SCHEMBL13608284 0.92 KDM1A (0.43) KDM1APRKCQCYP3A4CYP2C9BRD4
SCHEMBL12371664 0.90 PRKCQ (0.48) KDM1APRKCQCYP3A4CYP2C9USP1
SCHEMBL12371647 0.90 PRKCQ (0.48) KDM1APRKCQCYP3A4CYP2C9USP1
SCHEMBL12371635 0.90 PRKCQ (0.48) KDM1APRKCQCYP3A4CYP2C9USP1

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 1070/4885PRKCQ 3/4885CYP3A4 2136/4885

“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.