SCHEMBL6533541

SCHEMBL6533541

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1nn(-c2ccnc(NCc3ccccc3)c2)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
ACHE P22303 2/20 0.39
ITGAL P20701 2/20 0.39
HDAC1 Q13547 1/20 0.37
PARP1 P09874 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
SLC5A1 P13866 4/20 0.34
TACR1 P25103 1/20 0.34
CETP P11597 1/20 0.34
MET P08581 1/20 0.34
HSD11B1 P28845 1/20 0.33
MAPK14 Q16539 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL4103090 0.91 ITGAL (0.40) ACHEITGALMAPK14
SCHEMBL6531195 0.84 MAPK8 (0.43) MAPK8ACHEHDAC1PARP1GPR119
SCHEMBL4089789 0.80 HRH4 (0.42) MAPK8ACHEMAPK14
SCHEMBL4089777 0.80 PLK1 (0.43) MAPK8HDAC1PARP1MAPK14
SCHEMBL4089886 0.79 ITGAL (0.40) ITGALMAPK14
SCHEMBL6533544 0.79 VCP (0.33) ACHEITGALMAPK14
SCHEMBL6533999 0.79 PLK1 (0.42) MAPK8HDAC1PARP1
SCHEMBL4101616 0.78 PARP1 (0.40) MAPK8HDAC1PARP1GPR119
SCHEMBL4098948 0.78 PARP1 (0.40) MAPK8HDAC1PARP1GPR119
SCHEMBL4096941 0.78 PARP1 (0.40) MAPK8HDAC1PARP1GPR119

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-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed

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-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK8 1971/4885ACHE 2633/4885ITGAL 720/4885

“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.