SCHEMBL13620255

SCHEMBL13620255

CC(C)CCNc1ncc2[nH]c(=O)n(Cc3cc(F)ccc3C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.40
JAK3 P52333 5/20 0.40
USP1 O94782 6/20 0.38
DDR1 Q08345 3/20 0.38
JAK1 P23458 3/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
DPP4 P27487 1/20 0.36
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 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
SCHEMBL12371669 0.87 JAK2 (0.42) JAK2JAK3DDR1MAP4K1GRIN1
SCHEMBL13620060 0.86 JAK2 (0.42) JAK2JAK3DDR1DPP4MAP4K1
SCHEMBL13620265 0.81 POLB (0.44) JAK2JAK3TSHRHTT
SCHEMBL12371681 0.79 CHEK1 (0.41) JAK2JAK3DPP4MAP4K1
SCHEMBL12371637 0.79 CHEK1 (0.41) JAK2JAK3DPP4MAP4K1
SCHEMBL12371642 0.79 CHEK1 (0.41) JAK2JAK3DPP4MAP4K1
SCHEMBL12371713 0.76 JAK2 (0.45) JAK2JAK3USP1TSHRALDH1A1
SCHEMBL12371672 0.75 ADORA2A (0.43) JAK2JAK3TSHRHPGDDPP4
SCHEMBL13608317 0.74 JAK2 (0.43) JAK2JAK3JAK1TSHRALDH1A1
SCHEMBL13620513 0.74 JAK2 (0.45) JAK2JAK3USP1TSHRALDH1A1

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 1072/4885JAK3 1062/4885USP1 3253/4885

“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.