SCHEMBL25859581

SCHEMBL25859581

C=C(NC)c1ccn(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL25859543 0.76 CYP1A2 (0.32) KDM5A
SCHEMBL25859548 0.76 KDM5A (0.37) KDM5A
SCHEMBL20759134 0.75 DYRK1A (0.33) DYRK1AKDM5A
SCHEMBL10026473 0.72 MME (0.39) DYRK1AKDM5A
SCHEMBL1431340 0.71 KMT2A (0.44) KDM5A
SCHEMBL25859551 0.71 MEN1 (0.39) DYRK1AKDM5A
SCHEMBL25859547 0.71 ADORA3 (0.34) DYRK1A
SCHEMBL25332845 0.70 MEN1 (0.41) DYRK1AKDM5A
SCHEMBL28111818 0.68 KDM5A (0.35) DYRK1AKDM5A
SCHEMBL22246676 0.67 DYRK1A (0.38) DYRK1A

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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 DYRK1A 805/4885KDM5A 3020/4885

“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.