SCHEMBL10003027

SCHEMBL10003027

CCc1nc2c(cc1NCc1ccccc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ SCD O00767 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ASPH Q12797 2/20 0.35
▸ RIOX2 Q8IUF8 2/20 0.35
▸ KDM8 Q8N371 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ VNN1 O95497 2/20 0.35
▸ USP1 O94782 1/20 0.35
▸ WDR48 Q8TAF3 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHBP P24387 1/20 0.34

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
SCHEMBL10004038 0.91 NPSR1 (0.41) EGFRKDM4EMEN1GAAMAPT
SCHEMBL10003245 0.87 MEN1 (0.38) METRXFP1MEN1GAAMAPT
SCHEMBL10003404 0.85 HTT (0.40) KDM4EMEN1GAAMAPTHTT
SCHEMBL10003986 0.84 KMT2A (0.46) KDM4EMEN1GAAMAPTHTT
SCHEMBL10003155 0.84 P2RX7 (0.37) MEN1GAAMAPTHTTKMT2A
SCHEMBL10003992 0.84 CNR2 (0.39) RXFP1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10003502 0.83 TSHR (0.40) KDM4EMEN1GAAMAPTHTT
SCHEMBL10003327 0.83 SMO (0.55) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10003839 0.83 MAPT (0.41) HDAC8MEN1GAAMAPTKMT2A
SCHEMBL10002857 0.82 L3MBTL1 (0.44) KDM4ERXFP1MEN1GAAKMT2A

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 MET 91/4885EGFR 1207/4885SCD 2496/4885

“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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