SCHEMBL18609552

SCHEMBL18609552

COc1ccc(-n2cnc3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.74
HTT P42858 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 2/20 0.72
MAPK1 P28482 1/20 0.72
MAPK10 P53779 1/20 0.72
NCOA1 Q15788 1/20 0.72
NCOA3 Q9Y6Q9 1/20 0.72
FGFR1 P11362 4/20 0.60
GSK3B P49841 1/20 0.60
ATM Q13315 7/20 0.56
SRC P12931 1/20 0.55
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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 0.94 KDR (0.68) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL19781592 0.91 HTT (0.67) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL18584365 0.88 KDR (0.61) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL19781516 0.88 GSK3B (0.61) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL19781594 0.86 ATM (0.58) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL19781278 0.86 KDR (0.58) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL16291053 0.85 HTT (0.62) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL19781277 0.85 HTT (0.56) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL7683792 0.85 KDR (1.00) KDRHTTALDH1A1HPGDMAPK1
SCHEMBL21449915 0.85 ATM (0.57) KDRHTTALDH1A1HPGDMAPK1

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 3 patents. 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
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
WO-2017040993-A1 SMALL MOLECULE INHIBITORS OF DYRK1A AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-03-09 WO 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 3000/4885HTT 1940/4885ALDH1A1 3779/4885

“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.