SCHEMBL3041409

SCHEMBL3041409

C[C@H](Nc1ccc2ncc(NC(=O)Nc3ccccc3)n2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
NTRK1 P04629 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
FYN P06241 2/20 0.42
CDK2 P24941 3/20 0.40
CDK5 Q00535 3/20 0.40
DYRK3 O43781 2/20 0.40
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK9 P50750 2/20 0.40
DYRK1A Q13627 2/20 0.40
CDK5R1 Q15078 2/20 0.40
DYRK2 Q92630 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40

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
SCHEMBL2178753 1.00 HSD17B10 (0.46) HSD17B10NTRK1MAPK13MAPK12MAPK11
SCHEMBL3037462 0.77 PLK1 (0.43) CDK2CDK5DYRK3CCNT1CCNA2
SCHEMBL16468560 0.75 PLK1 (0.45) PLK1
SCHEMBL3040935 0.73 FYN (0.65) FYNCDK2CDK5DYRK3CCNT1
SCHEMBL3033366 0.73 ALDH1A1 (0.46) PLK1HTT
SCHEMBL3039694 0.73 FYN (0.65) FYNCDK2CDK5DYRK3CCNT1
SCHEMBL9905636 0.71 FYN (0.46) NTRK1FYNCDK2CDK5DYRK3
SCHEMBL8512932 0.71 FYN (0.46) NTRK1FYNCDK2CDK5DYRK3
SCHEMBL16622975 0.70 FYN (0.65) FYNPLK1
SCHEMBL9905676 0.70 FYN (0.46) NTRK1FYNCDK2CDK5DYRK3

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN HSD17B10 3781/4885NTRK1 445/4885MAPK13 1266/4885

“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.