SCHEMBL22680698

SCHEMBL22680698

CN1C(=O)C2Cc3ccccc3N2c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 18/20 0.63
PIK3CD O00329 1/20 0.61
AURKA O14965 1/20 0.61
DCLK1 O15075 1/20 0.61
PIK3C2G O75747 1/20 0.61
PIK3CG P48736 1/20 0.61
MAPK7 Q13164 1/20 0.61
LRRK2 Q5S007 1/20 0.61
AURKB Q96GD4 1/20 0.61
STK3 Q13188 1/20 0.60
PLK1 P53350 1/20 0.57
PLK3 Q9H4B4 1/20 0.57
PLK2 Q9NYY3 1/20 0.57

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
SCHEMBL22680883 0.84 TNK2 (0.56) AURKADCLK1MAPK7LRRK2
SCHEMBL22680705 0.82 DCLK1 (0.52) AURKADCLK1MAPK7LRRK2AURKB
SCHEMBL22680785 0.80 DCLK1 (0.50) AURKADCLK1MAPK7LRRK2
SCHEMBL24687681 0.79 AURKA (0.71) STK4PIK3CDAURKADCLK1PIK3C2G
SCHEMBL24071125 0.78 STK4 (1.00) STK4STK3
SCHEMBL23998755 0.78 STK4 (1.00) STK4STK3
SCHEMBL22680895 0.78 LRRK2 (0.51) DCLK1MAPK7LRRK2
SCHEMBL23998642 0.77 STK4 (1.00) STK4STK3
SCHEMBL23998721 0.77 STK4 (1.00) STK4STK3
SCHEMBL23998646 0.77 STK4 (1.00) STK4STK3

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-11279707-B2 NEK inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-22 US disclosed
US-20200361948-A1 NEK INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2020-11-19 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-20200361948-A1 NEK INHIBITORS AND METHODS OF USE NEK5, NEK2, NEK1 STK4 292/4885PIK3CD 2750/4885AURKA 508/4885
US-11279707-B2 NEK inhibitors and methods of use NEK5, NEK2, NEK1 STK4 292/4885PIK3CD 2750/4885AURKA 508/4885

“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.