SCHEMBL1053485

SCHEMBL1053485

CC(=O)Nc1cccc(-c2cnc3ccc(NC(CO)C(C)C)nn23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 1.00
DYRK3 O43781 5/20 0.76
CCNT1 O60563 5/20 0.76
CCNA2 P20248 5/20 0.76
CDK2 P24941 5/20 0.76
CDK9 P50750 5/20 0.76
CDK5 Q00535 5/20 0.76
DYRK1A Q13627 5/20 0.76
CDK5R1 Q15078 5/20 0.76
DYRK2 Q92630 5/20 0.76
DYRK1B Q9Y463 5/20 0.76
CLK1 P49759 1/20 0.76
CLK2 P49760 1/20 0.76
CLK3 P49761 1/20 0.76
CLK4 Q9HAZ1 1/20 0.76

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
SCHEMBL20485677 1.00 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL1053482 1.00 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL30521808 1.00 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2946043 0.88 FYN (0.79) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2946453 0.84 FYN (0.79) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2941590 0.83 FYN (0.75) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2947491 0.83 FYN (0.77) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL20485745 0.83 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL20485748 0.83 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2947495 0.83 FYN (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US claimed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US claimed
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors Pathways Neuro Pharma, Inc. 2020-06-23 US disclosed
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 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 (3 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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 FYN 666/4885DYRK3 2299/4885CCNT1 4289/4885
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885DYRK3 265/4885CCNT1 4406/4885
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors FYN, LCK, PTK2B FYN 1/4885DYRK3 265/4885CCNT1 4406/4885

“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.