SCHEMBL13620259

SCHEMBL13620259

COc1ccc(-c2ccccc2F)cc1Cn1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MTOR P42345 1/20 0.39
MAP3K11 Q16584 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
USP1 O94782 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MERTK Q12866 1/20 0.36

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
SCHEMBL13620414 0.92 USP1 (0.35) KDM1AADORA2AADORA1GRIN1GRIN2B
SCHEMBL12371670 0.86 MTOR (0.47) ADORA2AADORA1MTORUSP1MEN1
SCHEMBL13608325 0.86 MTOR (0.47) ADORA2AADORA1MTORUSP1MEN1
SCHEMBL3850492 0.86 USP1 (0.42) ADORA2AADORA1USP1
SCHEMBL3850496 0.86 USP1 (0.42) ADORA2AADORA1USP1
SCHEMBL13620048 0.85 USP1 (0.38) KDM1AUSP1
SCHEMBL13608264 0.85 KDM1A (0.39) KDM1AADORA2AADORA1MTORMAP3K11
SCHEMBL13620412 0.84 KDM1A (0.39) KDM1AUSP1
SCHEMBL12371698 0.84 JAK2 (0.41) KDM1AADORA2AADORA1GRIN1GRIN2B
SCHEMBL13608116 0.84 USP1 (0.40) ADORA2AADORA1USP1

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 1070/4885ADORA2A 975/4885ADORA1 1091/4885

“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.