SCHEMBL22680705

SCHEMBL22680705

CN1C(=O)C2Cc3ccccc3N2c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 2/20 0.52
LRRK2 Q5S007 2/20 0.52
MAPK7 Q13164 1/20 0.50
TNK2 Q07912 3/20 0.49
STAT6 P42226 1/20 0.47
CCND3 P30281 3/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNK O75909 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
IGF1R P08069 2/20 0.46
CDK4 P11802 3/20 0.44
CCND1 P24385 2/20 0.44
CCND2 P30279 2/20 0.44
PKMYT1 Q99640 2/20 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
SCHEMBL22680779 0.93 DCLK1 (0.49) DCLK1LRRK2MAPK7TNK2STAT6
SCHEMBL22680883 0.93 TNK2 (0.56) DCLK1LRRK2MAPK7TNK2CCND3
SCHEMBL22680895 0.93 LRRK2 (0.51) DCLK1LRRK2MAPK7TNK2CDK6
SCHEMBL22680785 0.89 DCLK1 (0.50) DCLK1LRRK2MAPK7TNK2CCND3
SCHEMBL22680790 0.87 LRRK2 (0.69) DCLK1LRRK2MAPK7TNK2IGF1R
SCHEMBL22680698 0.82 STK4 (0.63) DCLK1LRRK2MAPK7AURKAAURKB
SCHEMBL17469560 0.82 DCLK1 (0.51) DCLK1LRRK2MAPK7TNK2CCND3
SCHEMBL22680789 0.79 LRRK2 (0.69) DCLK1LRRK2MAPK7TNK2
SCHEMBL17465883 0.78 DCLK1 (0.78) DCLK1LRRK2MAPK7TNK2PTK2
SCHEMBL23998661 0.75 STK4 (0.68) DCLK1LRRK2SYKAURKAAURKB

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.