SCHEMBL10003662

SCHEMBL10003662

CCOC(=O)c1c(O)c2c(OC(=O)C(C)(C)C)c(Br)c(CC)nc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ PRTN3 P24158 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRE P78334 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30

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
SCHEMBL10003521 0.85 KDM4E (0.33) ELANEPRTN3ALDH1A1
SCHEMBL10003658 0.76 ALDH1A1 (0.35) GAAMAPTPKMKMT2AALDH1A1
SCHEMBL10002968 0.72 KDM4E (0.35) GAAMAPTKMT2AALDH1A1GABRP
SCHEMBL10003101 0.72 HTT (0.37) GAAMAPTPKMELANEPRTN3
SCHEMBL10003486 0.72 KMT2A (0.40) GAAMAPTPKMKMT2AALDH1A1
SCHEMBL10003830 0.71 MAPT (0.43) GAAMAPTPKMKMT2AALDH1A1
SCHEMBL10003026 0.69 HTT (0.33) ALDH1A1
SCHEMBL10004189 0.67 TAS2R14 (0.41) GAAMAPTKMT2AALDH1A1GABRP
SCHEMBL10004112 0.66 MAPT (0.40) GAAMAPTKMT2AALDH1A1GABRP
SCHEMBL2888124 0.66 GABRA1 (0.38) GAAMAPTPKMELANEPRTN3

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-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH GAA 3144/4885MAPT 4783/4885PKM 4060/4885

“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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