SCHEMBL10003653

SCHEMBL10003653

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A2 O94788 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
SCHEMBL10004766 0.92 NPSR1 (0.42) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL10004174 0.91 LMNA (0.44) KMT2AMEN1MAPTPDE1APDE1B
SCHEMBL10004555 0.90 KMT2A (0.49) KMT2AMEN1MAPTNPSR1MAOA
SCHEMBL10004728 0.90 ALDH1A1 (0.45) KMT2AMEN1LMNAPCSK9ALDH1A1
SCHEMBL10004150 0.89 NPSR1 (0.44) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL10004100 0.85 ALDH1A1 (0.44) KMT2AMEN1MAPTPDE1APDE1B
SCHEMBL10004584 0.84 BLM (0.48) KMT2AMEN1MAPTPDE1APDE1B
SCHEMBL10004914 0.83 MAPT (0.45) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL10004065 0.83 KMT2A (0.43) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL10004560 0.82 TDP1 (0.48) KMT2AMEN1MAPTNPSR1LMNA

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 KMT2A 423/4885MEN1 335/4885MAPT 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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