SCHEMBL18979671

SCHEMBL18979671

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C)(NC(=O)c4ccc(NC(=O)O)cc4)CC3)cc2OC)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.68
PTK2 Q05397 6/20 0.68
MAPK9 P45984 4/20 0.68
MAPK10 P53779 4/20 0.68
MAPK8 P45983 3/20 0.68
INSR P06213 3/20 0.68
IGF1R P08069 3/20 0.68
EGFR P00533 3/20 0.68
PTK2B Q14289 2/20 0.68
CDC7 O00311 1/20 0.68
PLK4 O00444 1/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
DCLK1 O15075 1/20 0.68
PDPK1 O15530 1/20 0.68
DAPK3 O43293 1/20 0.68
DYRK3 O43781 1/20 0.68
JAK2 O60674 1/20 0.68
PRKD3 O94806 1/20 0.68
PAK4 O96013 1/20 0.68

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
SCHEMBL1532360 0.93 EGFR (0.65) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL12628010 0.92 ALK (0.64) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL1532325 0.91 ALK (0.76) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL1817737 0.89 ALK (0.64) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL1532357 0.86 EGFR (0.68) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL12628011 0.85 ALK (0.71) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL18408771 0.82 ALK (0.72) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL31276403 0.82 ALK (0.84) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL375524 0.81 PTK2 (1.00) ALKPTK2MAPK9MAPK10MAPK8
SCHEMBL29730430 0.81 PTK2 (1.00) ALKPTK2MAPK9MAPK10MAPK8

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-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK ALK 789/4885PTK2 66/4885MAPK9 83/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK ALK 789/4885PTK2 66/4885MAPK9 83/4885

“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.