SCHEMBL17059684

SCHEMBL17059684

COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 12/20 1.00
▸ BRD4 O60885 11/20 1.00
▸ BRD2 P25440 1/20 0.63
▸ EP300 Q09472 1/20 0.63
▸ BRD3 Q15059 1/20 0.63
▸ BRDT Q58F21 1/20 0.63
▸ CREBBP Q92793 1/20 0.63
▸ EGFR P00533 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ DCLK1 O15075 2/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ CCNT1 O60563 4/20 0.39
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 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
SCHEMBL18370032 0.88 MAPK7 (0.84) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059679 0.87 BRD4 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059940 0.87 BRD4 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059946 0.84 MAPK7 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059962 0.83 MAPK7 (0.71) MAPK7BRD4BRD2EP300BRD3
SCHEMBL18370000 0.78 BRD4 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL18369999 0.77 BRD4 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059837 0.75 MAPK7 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL18369858 0.75 MAPK7 (1.00) MAPK7BRD4BRD2EP300BRD3
SCHEMBL17059803 0.75 MAPK7 (1.00) MAPK7BRD4BRD2EP300BRD3

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 3 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
WO-2015129927-A1 HETEROCYCLIC COMPOUNDS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-09-03 — — WO 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 MAPK7 58/4885BRD4 4/4885BRD2 17/4885

“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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