SCHEMBL17059944

SCHEMBL17059944

COc1cc(NS(C)(=O)=O)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.72
▸ MAPK7 Q13164 12/20 0.72
▸ DCLK1 O15075 11/20 0.72
▸ BRD4 O60885 9/20 0.72
▸ KCNH2 Q12809 2/20 0.49
▸ GLA P06280 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TOP1 P11387 1/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL18369845 0.84 MAPK7 (0.54) LRRK2MAPK7DCLK1BRD4KCNH2
SCHEMBL20094404 0.84 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL18370051 0.77 BRD4 (0.68) LRRK2MAPK7DCLK1BRD4KCNH2
SCHEMBL20094173 0.77 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL31092850 0.77 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL20094143 0.77 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL18369869 0.77 PRKDC (0.53) MAPK7BRD4KCNH2MTOR
SCHEMBL18369841 0.77 MAPK7 (0.61) LRRK2MAPK7DCLK1BRD4KCNH2
SCHEMBL18369861 0.76 MAPK7 (0.53) LRRK2MAPK7DCLK1BRD4KCNH2
SCHEMBL18369843 0.76 MAPK7 (0.52) LRRK2MAPK7DCLK1BRD4KCNH2

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 LRRK2 525/4885MAPK7 58/4885DCLK1 3272/4885

“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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