SCHEMBL3043393

SCHEMBL3043393

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.71
DYRK3 O43781 2/20 0.59
CCNT1 O60563 2/20 0.59
CCNA2 P20248 2/20 0.59
CDK2 P24941 2/20 0.59
CDK9 P50750 2/20 0.59
CDK5 Q00535 2/20 0.59
DYRK1A Q13627 2/20 0.59
CDK5R1 Q15078 2/20 0.59
DYRK2 Q92630 2/20 0.59
DYRK1B Q9Y463 2/20 0.59
MKNK1 Q9BUB5 3/20 0.58

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
SCHEMBL3049721 1.00 FYN (0.71) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3043616 0.86 FYN (0.65) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3034130 0.86 FYN (0.65) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL18613468 0.83 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL20485793 0.83 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3040935 0.81 FYN (0.65) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3039694 0.81 FYN (0.65) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3031885 0.74 MKNK1 (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3039017 0.74 MKNK1 (1.00) FYNMKNK1
SCHEMBL4694447 0.72 FYN (0.79) FYNDYRK3CCNT1CCNA2CDK2

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 3/4885DYRK3 401/4885CCNT1 903/4885

“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.