SCHEMBL4553565

SCHEMBL4553565

Cc1ccccc1N(C)CCNC(=O)c1cccc(-c2c[nH]c(=O)c3c2ccc2ccc(Cl)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SNCA P37840 11/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
PARP1 P09874 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
SERPINE1 P05121 1/20 0.38
SMYD2 Q9NRG4 1/20 0.37
FYN P06241 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37

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
SCHEMBL4293948 0.89 MAPK8 (0.47) MAPTSNCAMAPK8MAPK10MAPK14
SCHEMBL4291922 0.80 HPGD (0.45) MAPTSNCAMAPK8MAPK10MAPK14
SCHEMBL13662615 0.80 FYN (0.44) MAPK8MAPK10MAPK14PARP1FYN
SCHEMBL4287646 0.76 SERPINE1 (0.45) PARP1SERPINE1
SCHEMBL4294755 0.75 CHEK1 (0.44) MAPK8PARP1SERPINE1FYN
SCHEMBL4287635 0.72 PARP1 (0.55) PARP1
SCHEMBL4287632 0.72 CHEK1 (0.45) MAPK8PARP1
SCHEMBL4295944 0.71 SMN1; SMN2 (0.45) MAPTMAPK10
SCHEMBL13662591 0.71 RAB9A (0.45) MAPTPARP1
SCHEMBL4298992 0.70 BTK (0.49) PARP1

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A MAPT 3674/4885SNCA 4066/4885MAPK8 877/4885

“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.