SCHEMBL10003595

SCHEMBL10003595

CCc1nc2c(c(OC)c1-c1ccc(F)cc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 9/20 0.41
▸ GRIA4 P48058 9/20 0.41
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAT2A P31153 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL10002905 0.81 GRIA2 (0.38) GRIA2GRIA4MAPTALDH1A1LMNA
SCHEMBL10003341 0.81 GRIA2 (0.38) GRIA2GRIA4ALDH1A1LMNAGAA
SCHEMBL10003500 0.76 PTPN11 (0.41) GRIA2GRIA4MAPTALDH1A1HPGD
SCHEMBL10003039 0.75 SCN9A (0.41) GRIA2GRIA4MAPTTHRBALDH1A1
SCHEMBL10003232 0.75 CACNA1G (0.35) GRIA2GRIA4HCRTR1HCRTR2MEN1
SCHEMBL10003096 0.75 GRIA2 (0.35) GRIA2GRIA4ALDH1A1HPGDGAA
SCHEMBL10003810 0.74 PIK3CA (0.45) SCN9A
SCHEMBL10003659 0.74 RXRA (0.35) GRIA2GRIA4SCN9A
SCHEMBL10004018 0.73 ALDH1A1 (0.41) MAPTTHRBALDH1A1LMNAHPGD
SCHEMBL10003992 0.73 CNR2 (0.39) MAPTALDH1A1MEN1KMT2ASCN9A

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 GRIA2 3298/4885GRIA4 2962/4885MAPT 4783/4885

“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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