SCHEMBL10004041

SCHEMBL10004041

CCOC(=O)c1c(OC(C)C)c2nc(N)c(CC)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 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
SCHEMBL10003352 0.87 MAPT (0.40) MAPTKDM4EHSD17B10ALDH1A1GAA
SCHEMBL10003292 0.82 NPC1 (0.44) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL10004289 0.82 MAPT (0.39) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10003197 0.81 GABRA2 (0.45) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10003687 0.80 MAPT (0.35) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10003330 0.80 MAPK1 (0.38) MAPTKDM4EHSD17B10ALDH1A1GAA
SCHEMBL10002819 0.80 ALDH1A1 (0.39) MAPTKDM4EHSD17B10ALDH1A1GAA
SCHEMBL10002900 0.80 MAPT (0.42) MAPTKDM4EHSD17B10ALDH1A1GAA
SCHEMBL10004160 0.79 ALDH1A1 (0.42) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL10003128 0.79 HTT (0.44) MAPTKDM4EHSD17B10ALDH1A1GAA

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 MAPT 4783/4885KDM4E 405/4885HSD17B10 1201/4885

“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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