SCHEMBL10004170

SCHEMBL10004170

CCOC(=O)c1nc2c(OC(C)C)c(C(=O)O)n(C)c2nc1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SLC5A1 P13866 4/20 0.35
▸ SLC5A2 P31639 4/20 0.35
▸ GABRA2 P47869 5/20 0.35
▸ GABRB2 P47870 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TARBP2 Q15633 1/20 0.31

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
SCHEMBL10003875 0.85 ALDH1A1 (0.42) SLC5A1SLC5A2GABRA2GABRB2KDM4E
SCHEMBL10003428 0.81 POLB (0.35) GABRA2GABRB2KDM4EALDH1A1HPGD
SCHEMBL10004195 0.81 KMT2A (0.36) USP2GABRA2GABRB2KDM4EALDH1A1
SCHEMBL10003034 0.75 HTT (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10003648 0.74 GABRA2 (0.39) GABRA2GABRB2KDM4EALDH1A1HSD17B10
SCHEMBL10004654 0.74 GRIA2 (0.37) GABRA2GABRB2ADORA3
SCHEMBL10003794 0.74 GABRA2 (0.45) GABRA2GABRB2ALDH1A1RAB9ATARBP2
SCHEMBL10003388 0.74 GABRA2 (0.45) GABRA2GABRB2KDM4EALDH1A1HPGD
SCHEMBL10003447 0.72 KDM4E (0.43) GABRA2GABRB2KDM4EALDH1A1HPGD
SCHEMBL12003569 0.71 MAPT (0.37) GABRA2GABRB2KDM4EALDH1A1HSD17B10

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 USP2 3931/4885SLC5A1 1262/4885SLC5A2 1774/4885

“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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