SCHEMBL10004948

SCHEMBL10004948

CCOC(=O)c1c(O)c2c(=O)n(Cc3cccc(C)c3)c(C)nc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDR P35968 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL10004047 0.87 POLB (0.45) POLBALDH1A1L3MBTL1ALOX15KDR
SCHEMBL10003876 0.80 ALDH1A1 (0.43) POLBALDH1A1ALOX15SMN1; SMN2KMT2A
SCHEMBL10004957 0.78 LMNA (0.45) POLBALDH1A1L3MBTL1ALOX15KDR
SCHEMBL10004174 0.76 LMNA (0.44) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL10004019 0.75 KMT2A (0.51) POLBALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL10003938 0.75 ALDH1A1 (0.57) POLBALDH1A1ALOX15SMN1; SMN2KMT2A
SCHEMBL10004565 0.75 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL10004065 0.74 KMT2A (0.43) POLBALDH1A1L3MBTL1ALOX15SMN1; SMN2
SCHEMBL10004234 0.69 KMT2A (0.50) POLBALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL10004944 0.69 KMT2A (0.50) ALDH1A1L3MBTL1ALOX15SMN1; SMN2KMT2A

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 POLB 4723/4885ALDH1A1 321/4885L3MBTL1 2806/4885

“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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