SCHEMBL13620263

SCHEMBL13620263

COc1ccc(Br)cc1[C@@H](C)n1c(=O)[nH]c2cnc(NCc3c[nH]cn3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
PDE4B Q07343 4/20 0.37
USP1 O94782 6/20 0.36
ALDH1A1 P00352 2/20 0.33
IDH1 O75874 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.32

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 0.82 MEN1 (0.39) ALDH1A1IDH1MAPTSMN1; SMN2CDK4
SCHEMBL13620500 0.79 KDM1A (0.37) JAK2JAK1JAK3PDE4BUSP1
SCHEMBL13608138 0.74 ADORA3 (0.36) JAK2JAK3USP1MEN1KMT2A
SCHEMBL13620043 0.73 IDH1 (0.38) JAK2JAK1JAK3USP1ALDH1A1
SCHEMBL13620504 0.71 MCHR1 (0.39) JAK2JAK1JAK3USP1
SCHEMBL13620489 0.69 MAPT (0.41) USP1ALDH1A1HTTMAPTKDM4E
SCHEMBL7939025 0.66 ALDH1A1 (0.33) ALDH1A1HTTMAPTSMN1; SMN2KDM4E
SCHEMBL13608422 0.64 JAK2 (0.48) JAK2JAK1JAK3USP1LMNA
SCHEMBL13608229 0.63 USP1 (0.42) JAK2JAK1JAK3USP1
SCHEMBL13608328 0.63 USP1 (0.42) JAK2JAK1JAK3USP1

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 JAK2 1072/4885JAK1 816/4885JAK3 1062/4885

“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.