SCHEMBL17059743

SCHEMBL17059743

CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1S2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.60
▸ MAPK7 Q13164 3/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ LRRK2 Q5S007 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ DCLK1 O15075 1/20 0.48
▸ BRDT Q58F21 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ NUAK1 O60285 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL17059678 0.87 MAPK7 (0.69) BRD4MAPK7KCNH2LRRK2ALDH1A1
SCHEMBL18369941 0.87 MAPK7 (0.77) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL17059748 0.86 MAPK7 (0.61) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL17059937 0.84 BRD4 (0.59) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL17059838 0.84 MAPK7 (0.59) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL18369961 0.83 MAPK7 (0.73) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL18370006 0.81 MAPK7 (0.89) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL17059780 0.81 BRD4 (0.52) BRD4MAPK7KCNH2LRRK2TP53
SCHEMBL18369949 0.80 MAPK7 (0.74) BRD4MAPK7KCNH2LRRK2DCLK1
SCHEMBL18369840 0.79 BRD4 (0.84) BRD4MAPK7KCNH2LRRK2DCLK1

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 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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