SCHEMBL3040935

SCHEMBL3040935

C[C@H](Nc1ccc2ncc(-c3ccncc3)n2n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.65
MKNK1 Q9BUB5 5/20 0.65
DYRK3 O43781 2/20 0.53
CCNT1 O60563 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CDK9 P50750 2/20 0.53
CDK5 Q00535 2/20 0.53
DYRK1A Q13627 2/20 0.53
CDK5R1 Q15078 2/20 0.53
DYRK2 Q92630 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
ATP1A1 P05023 3/20 0.50
ATP1B1 P05026 3/20 0.50
ATP1A3 P13637 3/20 0.50
ATP1B2 P14415 3/20 0.50
ATP1A2 P50993 3/20 0.50
ATP1B3 P54709 3/20 0.50
FXYD2 P54710 3/20 0.50
ATP1A4 Q13733 3/20 0.50

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
SCHEMBL3039694 1.00 FYN (0.65) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL16622975 0.85 FYN (0.65) FYN
SCHEMBL3034130 0.84 FYN (0.65) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL3043616 0.84 FYN (0.65) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL19308430 0.82 FYN (0.49) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL19263570 0.82 FYN (0.51) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL3049721 0.81 FYN (0.71) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL3043393 0.81 FYN (0.71) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL9902335 0.80 FYN (0.46) FYNMKNK1DYRK3CCNT1CCNA2
SCHEMBL16468560 0.79 PLK1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 FYN 3/4885MKNK1 816/4885DYRK3 401/4885

“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.