SCHEMBL22273629

SCHEMBL22273629

COc1ccc(-n2cnc3ccc(-c4cc[n+]([O-])cc4)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
GSK3B P49841 5/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPK10 P53779 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
ATM Q13315 6/20 0.52
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FGFR1 P11362 4/20 0.47
CDK1 P06493 1/20 0.46
PRKCQ Q04759 1/20 0.46
MAP3K1 Q13233 1/20 0.46
HCAR1 Q9BXC0 1/20 0.44

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
SCHEMBL19781279 0.90 KDR (0.68) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL18609689 0.88 KDR (0.57) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL18609552 0.85 KDR (0.74) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL19781516 0.84 GSK3B (0.61) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL18584365 0.84 KDR (0.61) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL21449916 0.82 PTGS2 (0.61) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL19781594 0.81 ATM (0.58) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL19781278 0.81 KDR (0.58) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL19781592 0.81 HTT (0.67) KDRGSK3BHTTALDH1A1HPGD
SCHEMBL21449915 0.81 ATM (0.57) KDRGSK3BHTTALDH1A1HPGD

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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B KDR 3000/4885GSK3B 739/4885HTT 1940/4885

“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.