SCHEMBL10003209

SCHEMBL10003209

CCOC(=O)c1nc(Br)c(C)nc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP19A1 P11511 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ PPIA P62937 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 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
SCHEMBL10003253 0.88 MEN1 (0.44) MEN1KMT2AHSP90AA1CYP19A1L3MBTL1
SCHEMBL20399745 0.87 MAOB (0.50) MEN1KMT2AHSP90AA1RAB9ANPSR1
SCHEMBL10003196 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1L3MBTL1RAB9A
SCHEMBL10003881 0.82 HTT (0.53) MEN1KMT2AHSP90AA1RAB9ANPSR1
SCHEMBL10002954 0.78 KMT2A (0.47) MEN1KMT2AHSP90AA1CYP19A1L3MBTL1
SCHEMBL10003306 0.78 RAB9A (0.47) MEN1KMT2AHSP90AA1L3MBTL1RAB9A
SCHEMBL5616408 0.77 MAPT (0.65) MEN1KMT2ACYP19A1L3MBTL1RAB9A
SCHEMBL20399613 0.76 RAB9A (0.51) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10003200 0.75 HTT (0.51) RAB9ANPSR1PPIAALDH1A1LMNA
SCHEMBL23860315 0.74 LMNA (0.48) MEN1KMT2AHSP90AA1CYP19A1L3MBTL1

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 MEN1 335/4885KMT2A 423/4885HSP90AA1 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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