SCHEMBL13620043

SCHEMBL13620043

COc1ccc(Cl)cc1Cn1c(=O)[nH]c2cnc(NCc3c[nH]cn3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTOR P42345 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
FABP4 P15090 1/20 0.35
TP53 P04637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
USP2 O75604 2/20 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
SCHEMBL13620036 0.90 MEN1 (0.39) IDH1MAPTALDH1A1SMN1; SMN2MTOR
SCHEMBL13620491 0.82 DDR1 (0.39) IDH1HSP90AA1HSP90B1TRAP1
SCHEMBL13608176 0.81 IDH1 (0.38) IDH1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL13608264 0.79 KDM1A (0.39) MTORJAK2JAK1JAK3
SCHEMBL13608138 0.78 ADORA3 (0.36) JAK2JAK3ADORA3HSP90AA1HSP90B1
SCHEMBL13620041 0.78 DDR1 (0.41)
SCHEMBL13620489 0.75 MAPT (0.41) MAPTALDH1A1MTORTLR7ADORA3
SCHEMBL13620215 0.74 MEN1 (0.39) MAPTALDH1A1MTORCDK4CCND1
SCHEMBL13620263 0.73 JAK2 (0.40) IDH1MAPTALDH1A1SMN1; SMN2CDK4
SCHEMBL13608396 0.71 ALDH1A1 (0.39) IDH1ALDH1A1TLR7ADORA3HSP90AA1

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 IDH1 2072/4885MAPT 3754/4885ALDH1A1 2498/4885

“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.