SCHEMBL25859549

SCHEMBL25859549

C=C(N)c1ccn(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
NOS1 P29475 1/20 0.32
KDM5A P29375 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL2810761 0.81 ADORA2A (0.40) DYRK1ANOS1KDM5AADORA2AADORA1
SCHEMBL20759134 0.78 DYRK1A (0.33) DYRK1AKDM5A
SCHEMBL17065274 0.74 KDM5A (0.37) DYRK1AKDM5AADORA2AADORA1
SCHEMBL10026473 0.74 MME (0.39) DYRK1AKDM5A
SCHEMBL25332845 0.73 MEN1 (0.41) DYRK1AKDM5AADORA2AADORA1
SCHEMBL19539129 0.70 BRD4 (0.42) KDM5A
SCHEMBL1431340 0.70 KMT2A (0.44) KDM5A
SCHEMBL12777937 0.70 DYRK1A (0.40) DYRK1AKDM5AADORA2AADORA1
SCHEMBL21756285 0.69 GSK3B (0.35) DYRK1AKDM5A
SCHEMBL19531884 0.69 KDM5A (0.41) KDM5A

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 805/4885NOS1 2052/4885KDM5A 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.