SCHEMBL10003767

SCHEMBL10003767

CCOC(=O)c1sc2nc(CC)c(NC(=O)c3ccc(F)cc3)cc2c1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ BRAF P15056 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL10004307 0.90 ALDH1A1 (0.40) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10003062 0.83 LMNA (0.46) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL10003175 0.80 SMO (0.44) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10003574 0.80 PTPN2 (0.39) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10003886 0.80 KDM4E (0.42) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10003799 0.76 NPC1 (0.43) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10004018 0.76 ALDH1A1 (0.41) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10003698 0.76 KDM4E (0.48) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10002933 0.75 ALDH1A1 (0.40) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL10004066 0.75 ALDH1A1 (0.48) KDM4EKMT2ALMNAALDH1A1MAPT

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 KDM4E 405/4885KMT2A 423/4885LMNA 4452/4885

“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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