SCHEMBL13620487

SCHEMBL13620487

C[C@H](c1cc(-c2cccc(CN)c2)ccc1OC(F)(F)F)n1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
TPSAB1 Q15661 2/20 0.34
IRAK4 Q9NWZ3 4/20 0.33
IRAK1 P51617 2/20 0.33
KDM1A O60341 3/20 0.33
PIM1 P11309 3/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FLT3 P36888 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL13620275 0.87 USP1 (0.38) JAK2JAK1JAK3CCNE2CCNA2
SCHEMBL13620493 0.87 USP1 (0.38) JAK2JAK1JAK3CCNE2CCNA2
SCHEMBL13620394 0.86 JAK2 (0.37) JAK2JAK1JAK3KDM1APIM1
SCHEMBL13620504 0.86 MCHR1 (0.39) JAK2JAK1JAK3KDM1AUSP1
SCHEMBL13620383 0.86 JAK2 (0.40) JAK2JAK1JAK3KDM1APIM1
SCHEMBL13620426 0.86 USP1 (0.41) JAK2JAK1JAK3CCNE2CCNA2
SCHEMBL13620298 0.86 USP1 (0.41) JAK2JAK1JAK3CCNE2CCNA2
SCHEMBL13608112 0.79 IRAK4 (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3845548 0.78 TRIM58 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3845553 0.78 TRIM58 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1

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.