SCHEMBL24345183

SCHEMBL24345183

ClCc1c[nH]c2ncnc(Cl)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
NOTUM Q6P988 1/20 0.38
AURKA O14965 1/20 0.34
MAP3K7 O43318 3/20 0.34
TAB1 Q15750 3/20 0.34
AKT1 P31749 3/20 0.33
TRPA1 O75762 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
STK4 Q13043 4/20 0.32
STK3 Q13188 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 3/20 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
SCHEMBL4780230 0.84 CHEK1 (0.56) CHEK1NOTUMAURKAMAP3K7TAB1
SCHEMBL3236479 0.84 CHEK1 (0.56) CHEK1NOTUMAURKAMAP3K7TAB1
SCHEMBL2783376 0.81 CHEK1 (0.53) CHEK1NOTUMAURKAMAP3K7TAB1
SCHEMBL16765827 0.80 CHEK1 (0.51) CHEK1NOTUMMAP3K7TAB1LRRK2
SCHEMBL21678540 0.78 CHEK1 (0.50) CHEK1NOTUMAURKAAKT1IRAK4
SCHEMBL20195284 0.77 CHEK1 (0.49) CHEK1NOTUMAURKAMAP3K7TAB1
SCHEMBL4268054 0.77 MET (0.50) CHEK1AURKAMAP3K7TAB1AKT1
SCHEMBL16765811 0.77 CHEK1 (0.49) CHEK1NOTUMAURKATRPA1IRAK4
SCHEMBL12065776 0.77 CHEK1 (0.49) CHEK1NOTUMAURKAMAP3K7TAB1
SCHEMBL16765141 0.77 CHEK1 (0.49) CHEK1NOTUMAURKAMAP3K7TAB1

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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK CHEK1 868/4885NOTUM 4783/4885AURKA 521/4885

“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.