SCHEMBL13620376

SCHEMBL13620376

N#Cc1cccc(-c2ccc(OC(F)(F)F)c(Cn3c(=O)[nH]c4cnc(NC[C@@H]5CCNC5)nc43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 3/20 0.36
USP2 O75604 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
KMT2A Q03164 3/20 0.36
CHEK1 O14757 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
GLA P06280 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 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
SCHEMBL13620483 0.94 KDM1A (0.47) KDM1AJAK2JAK3CHEK1CTSS
SCHEMBL13620229 0.93 KDM1A (0.44) KDM1AJAK2JAK3ADORA2AADORA1
SCHEMBL3845548 0.92 TRIM58 (0.40) KDM1AADORA2AADORA1PIM1
SCHEMBL3845553 0.92 TRIM58 (0.40) KDM1AADORA2AADORA1PIM1
SCHEMBL13620052 0.87 GRIN1 (0.37) KDM1AGRIN1GRIN2BADORA2AADORA1
SCHEMBL13620414 0.87 USP1 (0.35) KDM1AGRIN1GRIN2BADORA2AADORA1
SCHEMBL13620282 0.87 KDM1A (0.38) KDM1AJAK2JAK3ADORA2AADORA1
SCHEMBL13620412 0.86 KDM1A (0.39) KDM1ACYP3A4
SCHEMBL13620048 0.86 USP1 (0.38) KDM1A
SCHEMBL13620230 0.86 BRD4 (0.37) KDM1AADORA2AADORA1CHEK1CYP1A2

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 1070/4885JAK2 1072/4885JAK3 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.