SCHEMBL4348134

SCHEMBL4348134

Cn1c(C(=O)Nc2ccc(-c3cc4c(N[C@H]5CCCN(C(=O)O)C5)ncc(C#N)c4s3)cc2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.48
▸ DGAT1 O75907 1/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ FES P07332 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL3075706 0.84 CHEK1 (0.59) CHEK1KCNH2PIK3CDPIK3CA
SCHEMBL4357649 0.77 CHEK1 (0.47) CHEK1KCNH2PIK3CD
SCHEMBL4345507 0.76 BTK (0.41) CHEK1BTKEGFRITKPIK3CD
SCHEMBL4342847 0.76 CHEK1 (0.47) CHEK1BTKKCNH2PIK3CDPIK3CA
SCHEMBL4348159 0.76 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4349145 0.76 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL4349670 0.75 CHEK1 (0.46) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4342574 0.74 CHEK1 (0.45) CHEK1EGFRITKPIK3CDPIK3CA
SCHEMBL3070658 0.74 CHEK1 (0.46) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4350214 0.74 JAK3 (0.44) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — 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 (1 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CHEK1 1/4885DGAT1 3214/4885ROCK1 742/4885

“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.

Send feedback