SCHEMBL21143418

SCHEMBL21143418

CN1C(=O)c2ccccc2N(C)c2nc(N(C)c3ccc(C(=O)O)cc3OC3CCCC3)ncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.47
▸ MAPK7 Q13164 9/20 0.47
▸ LRRK2 Q5S007 9/20 0.47
▸ DCLK1 O15075 6/20 0.47
▸ NUAK1 O60285 2/20 0.46
▸ BRDT Q58F21 5/20 0.43
▸ PARP1 P09874 2/20 0.42
▸ PLK1 P53350 2/20 0.40
▸ BRD1 O95696 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ TNK1 Q13470 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40

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
SCHEMBL16974436 0.88 MAPK7 (0.53) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL16982789 0.82 LRRK2 (0.67) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL16974434 0.77 MAPK7 (0.51) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL16982790 0.76 LRRK2 (0.73) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL18313616 0.76 MAPK7 (0.65) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL18371567 0.75 LRRK2 (0.65) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL16974435 0.75 BRD4 (0.68) BRD4MAPK7LRRK2DCLK1NUAK1
SCHEMBL16984551 0.73 BRD4 (0.66) BRD4BRDTPARP1PLK1BRD1
SCHEMBL24334048 0.73 LRRK2 (0.61) BRD4MAPK7LRRK2DCLK1BRDT
SCHEMBL17854805 0.73 MAPK7 (0.53) BRD4MAPK7LRRK2DCLK1NUAK1

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-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 — — 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-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 BRD4 1/4885MAPK7 2747/4885LRRK2 1955/4885

“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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