SCHEMBL22680779

SCHEMBL22680779

CN1C(=O)C2Cc3ccccc3N2c2nc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)ncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 5/20 0.49
LRRK2 Q5S007 5/20 0.49
MAPK7 Q13164 5/20 0.49
ULK1 O75385 1/20 0.45
TNK2 Q07912 4/20 0.43
FGFR1 P11362 3/20 0.43
KDR P35968 3/20 0.43
EPHB4 P54760 3/20 0.43
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
GAK O14976 1/20 0.41
BRD4 O60885 1/20 0.41
TNK1 Q13470 1/20 0.41
DCLK2 Q8N568 1/20 0.41
STAT6 P42226 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL22680705 0.93 DCLK1 (0.52) DCLK1LRRK2MAPK7TNK2FGFR1
SCHEMBL22680895 0.86 LRRK2 (0.51) DCLK1LRRK2MAPK7TNK2FGFR1
SCHEMBL22680883 0.86 TNK2 (0.56) DCLK1LRRK2MAPK7TNK2GAK
SCHEMBL22680790 0.86 LRRK2 (0.69) DCLK1LRRK2MAPK7TNK2GAK
SCHEMBL22680785 0.82 DCLK1 (0.50) DCLK1LRRK2MAPK7TNK2GAK
SCHEMBL22680789 0.78 LRRK2 (0.69) DCLK1LRRK2MAPK7TNK2GAK
SCHEMBL22680698 0.77 STK4 (0.63) DCLK1LRRK2MAPK7STK4
SCHEMBL17469525 0.77 MARK3 (0.49) DCLK1LRRK2MAPK7JAK3BRD4
SCHEMBL17469560 0.75 DCLK1 (0.51) DCLK1LRRK2MAPK7TNK2JAK1
SCHEMBL22680887 0.72 DRD2 (0.44) MAPK7

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 DCLK1 188/4885LRRK2 3010/4885MAPK7 911/4885
US-11279707-B2 NEK inhibitors and methods of use NEK5, NEK2, NEK1 DCLK1 188/4885LRRK2 3010/4885MAPK7 911/4885

“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.