SCHEMBL10002954

SCHEMBL10002954

CCOC(=O)c1nc(OCc2ccccc2)c(CC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAOB P27338 1/20 0.45
▸ GABRA1 P14867 3/20 0.45
▸ GABRG2 P18507 3/20 0.45
▸ GABRB3 P28472 3/20 0.45
▸ GABRA5 P31644 3/20 0.45
▸ GABRA3 P34903 3/20 0.45
▸ GABRA2 P47869 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TARBP2 Q15633 1/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
SCHEMBL10003005 0.86 MEN1 (0.47) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL10003358 0.84 MEN1 (0.45) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL2674878 0.81 L3MBTL1 (0.50) KMT2AMEN1HSP90AA1MAOBL3MBTL1
SCHEMBL10004130 0.79 KMT2A (0.44) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL10003253 0.79 MEN1 (0.44) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL10003209 0.78 MEN1 (0.48) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL10003306 0.74 RAB9A (0.47) KMT2AMEN1HSP90AA1MAOBGABRA1
SCHEMBL30852499 0.73 CDC7 (0.44) KMT2AMEN1HSP90AA1L3MBTL1ALDH1A1
SCHEMBL10003196 0.73 MEN1 (0.48) KMT2AMEN1HSP90AA1MAOBL3MBTL1
SCHEMBL10003381 0.73 ALDH1A1 (0.43) KMT2AMEN1HSP90AA1MAOBALDH1A1

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 KMT2A 423/4885MEN1 335/4885HSP90AA1 4693/4885

“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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