SCHEMBL22680883

SCHEMBL22680883

CN1CCN(c2ccc(Nc3ncc4c(n3)N3c5ccccc5CC3C(=O)N4C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.56
DCLK1 O15075 4/20 0.54
LRRK2 Q5S007 4/20 0.54
CDK4 P11802 4/20 0.51
AURKA O14965 1/20 0.51
CCND3 P30281 4/20 0.49
CCND1 P24385 3/20 0.49
CCND2 P30279 3/20 0.49
ALK Q9UM73 2/20 0.49
MAPK7 Q13164 4/20 0.49
GAK O14976 1/20 0.49
BRD4 O60885 1/20 0.49
TNK1 Q13470 1/20 0.49
DCLK2 Q8N568 1/20 0.49
EGFR P00533 3/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCNK O75909 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48

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) TNK2DCLK1LRRK2CDK4AURKA
SCHEMBL22680785 0.92 DCLK1 (0.50) TNK2DCLK1LRRK2CDK4AURKA
SCHEMBL22680895 0.88 LRRK2 (0.51) TNK2DCLK1LRRK2CDK4CCND1
SCHEMBL22680779 0.86 DCLK1 (0.49) TNK2DCLK1LRRK2CCND3MAPK7
SCHEMBL22680789 0.86 LRRK2 (0.69) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL22680698 0.84 STK4 (0.63) DCLK1LRRK2AURKAMAPK7
SCHEMBL22680790 0.80 LRRK2 (0.69) TNK2DCLK1LRRK2ALKMAPK7
SCHEMBL10098748 0.78 LRRK2 (0.79) TNK2DCLK1LRRK2AURKAMAPK7
SCHEMBL10098757 0.76 TNK2 (0.71) TNK2DCLK1LRRK2CDK4CCND3
SCHEMBL23998717 0.76 STK4 (0.69) TNK2DCLK1LRRK2BRD4

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 TNK2 22/4885DCLK1 188/4885LRRK2 3010/4885
US-11279707-B2 NEK inhibitors and methods of use NEK5, NEK2, NEK1 TNK2 22/4885DCLK1 188/4885LRRK2 3010/4885

“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.