SCHEMBL3852115

SCHEMBL3852115

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1cc(-c2ccccc2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
TRIM58 Q8NG06 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
USP1 O94782 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.36
MAOB P27338 2/20 0.36
HTR6 P50406 2/20 0.36
JAK2 O60674 2/20 0.36
IRAK1 P51617 1/20 0.36
JAK1 P23458 1/20 0.36
PAK1 Q13153 1/20 0.35
BRD4 O60885 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
SCHEMBL3852109 1.00 KDM1A (0.45) KDM1ATRIM58ADORA3CCNE2CCNA2
SCHEMBL13608142 0.89 KDM1A (0.44) KDM1AUSP1CYP3A4CYP2C9PRKCQ
SCHEMBL12371647 0.89 PRKCQ (0.48) KDM1AADORA3CDK2USP1CYP3A4
SCHEMBL12371664 0.89 PRKCQ (0.48) KDM1AADORA3CDK2USP1CYP3A4
SCHEMBL12371635 0.89 PRKCQ (0.48) KDM1AADORA3CDK2USP1CYP3A4
SCHEMBL13608490 0.88 KDM1A (0.43) KDM1AADORA3USP1CYP3A4CYP2C9
SCHEMBL13608284 0.88 KDM1A (0.43) KDM1AUSP1CYP3A4CYP2C9PRKCQ
SCHEMBL3850531 0.88 KDM1A (0.43) KDM1AUSP1CYP3A4CYP2C9PRKCQ
SCHEMBL3850532 0.88 KDM1A (0.43) KDM1AUSP1CYP3A4CYP2C9PRKCQ
SCHEMBL13608315 0.88 ADORA3 (0.43) KDM1ATRIM58ADORA3CCNE2CCNA2

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
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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 1070/4885TRIM58 4267/4885ADORA3 1135/4885

“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.