SCHEMBL1063580

SCHEMBL1063580

CCOc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)sc2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.52
▸ BTK Q06187 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39

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
SCHEMBL1060931 0.91 SMO (0.53) SMOLMNAKMT2AMAPTPOLB
SCHEMBL1061250 0.89 SMO (0.62) SMOBTKLMNAKMT2AMAPT
SCHEMBL1056929 0.86 SMO (0.54) SMOBTKLMNAKDM4EKMT2A
SCHEMBL1059926 0.86 SMO (0.47) SMOBTK
SCHEMBL1062359 0.81 SMO (0.54) SMOLMNAKDM4EKMT2AMAPT
SCHEMBL1056681 0.79 SMO (0.69) SMOLMNATHRBKDM4EPKM
SCHEMBL1063259 0.79 MEN1 (0.43) SMOLMNAKMT2AMAPTPOLB
SCHEMBL1061905 0.76 SMO (0.44) SMOBTKLMNACCR8
SCHEMBL1064330 0.76 KMT2A (0.45) SMOLMNAKDM4EKMT2AMAPT
SCHEMBL12962870 0.75 SMO (0.43) SMOBTKLMNAKDM4EPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885BTK 2117/4885LMNA 4534/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885BTK 2228/4885LMNA 4392/4885

“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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