SCHEMBL10004766

SCHEMBL10004766

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ BLM P54132 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ APP P05067 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL10004150 0.93 NPSR1 (0.44) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL10004100 0.93 ALDH1A1 (0.44) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10004555 0.93 KMT2A (0.49) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10003653 0.92 KMT2A (0.47) NPSR1MEN1KMT2AALDH1A1HPGD
SCHEMBL10004584 0.92 BLM (0.48) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10004065 0.91 KMT2A (0.43) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10004728 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GAARECQL
SCHEMBL10004560 0.90 TDP1 (0.48) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10004914 0.85 MAPT (0.45) NPSR1MEN1KMT2AALDH1A1GAA
SCHEMBL10004019 0.83 KMT2A (0.51) MEN1KMT2AALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH NPSR1 2438/4885MEN1 335/4885KMT2A 423/4885

“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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