SCHEMBL18369840

SCHEMBL18369840

CCOc1cc(C(=O)N2CCCCC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.84
▸ MAPK7 Q13164 10/20 0.84
▸ KCNH2 Q12809 1/20 0.84
▸ LRRK2 Q5S007 8/20 0.56
▸ BRDT Q58F21 6/20 0.56
▸ DCLK1 O15075 4/20 0.56
▸ NUAK1 O60285 1/20 0.53
▸ PLK4 O00444 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ TNK2 Q07912 1/20 0.48
▸ TNK1 Q13470 1/20 0.48
▸ RPS6KA2 Q15349 1/20 0.48
▸ RPS6KA1 Q15418 1/20 0.48
▸ DCLK2 Q8N568 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PLK1 P53350 1/20 0.43

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
SCHEMBL18369835 0.94 BRD4 (0.78) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369909 0.93 MAPK7 (0.77) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369890 0.93 MAPK7 (0.78) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18370012 0.93 MAPK7 (0.78) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL17059945 0.93 BRD4 (0.78) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369941 0.92 MAPK7 (0.77) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369938 0.92 BRD4 (0.77) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369944 0.92 MAPK7 (0.86) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL17059933 0.92 MAPK7 (1.00) BRD4MAPK7KCNH2LRRK2BRDT
SCHEMBL18369878 0.91 BRD4 (0.84) BRD4MAPK7KCNH2LRRK2BRDT

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-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — 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-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 BRD4 4/4885MAPK7 58/4885KCNH2 4491/4885

“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.

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