SCHEMBL20102192

SCHEMBL20102192

CC(O)Nc1cc(-c2cncc(NC(=O)c3ccccc3)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.57
GSK3B P49841 11/20 0.57
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
PIK3C3 Q8NEB9 2/20 0.47
NAMPT P43490 1/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
DYRK1A Q13627 2/20 0.46
BCAT2 O15382 1/20 0.45
FDPS P14324 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
SCHEMBL16913981 0.86 PIK3C3 (0.62) MAPTGSK3BMAPK8MAPK10PIK3C3
SCHEMBL485750 0.77 MAPT (0.50) MAPTGSK3BNAMPTBCAT2
SCHEMBL485904 0.75 RAB9A (0.58) MAPTGSK3BNAMPTCLK2CLK3
SCHEMBL27982254 0.74 BCAT2 (0.55) MAPTGSK3BNAMPTDYRK1ABCAT2
SCHEMBL19065434 0.73 CLK2 (0.52) MAPTGSK3BCLK2CLK3DYRK1A
SCHEMBL29675461 0.73 CLK2 (0.52) MAPTGSK3BCLK2CLK3DYRK1A
SCHEMBL730182 0.73 PIK3CA (0.59) MAPTGSK3BCLK2CLK3DYRK1A
SCHEMBL16703333 0.72 GSK3B (1.00) MAPTGSK3B
SCHEMBL28655226 0.72 NPC1 (0.65) MAPK8MAPK10FDPS
SCHEMBL18086917 0.72 GSK3B (0.70) MAPTGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 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 (2 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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B MAPT 3994/4885GSK3B 2235/4885MAPK8 4049/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B MAPT 3994/4885GSK3B 2235/4885MAPK8 4049/4885

“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.