SCHEMBL10003876

SCHEMBL10003876

CCOC(=O)c1c(O)c2c(=O)n(COCc3ccccc3)c(C)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL10003785 0.87 ALDH1A1 (0.39) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10003938 0.81 ALDH1A1 (0.57) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10004948 0.80 POLB (0.48) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10003931 0.78 MAPT (0.40) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10004802 0.73 KMT2A (0.44) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL10004065 0.72 KMT2A (0.43) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL10004125 0.72 MAPT (0.39) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL10003752 0.72 MAPT (0.47) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL1059767 0.68 MAPT (0.49) ALDH1A1MAPTGAAHTTKDM4E
SCHEMBL10003357 0.68 ALDH1A1 (0.45) ALDH1A1MAPTGAAKMT2AMEN1

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 ALDH1A1 321/4885MAPT 4783/4885GAA 3144/4885

“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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