SCHEMBL1056839

SCHEMBL1056839

CCOC(=O)c1c(O)c2c(=O)n(CC(=O)c3ccccc3)c(CC)cc2n1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ SMO Q99835 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL1064236 0.92 KMT2A (0.47) KMT2AMEN1SMOALDH1A1MAPT
SCHEMBL10005002 0.91 SMO (0.46) KMT2AMEN1SMOALDH1A1NPC1
SCHEMBL10004405 0.90 KMT2A (0.49) KMT2AMEN1SMOALDH1A1MAPT
SCHEMBL1062667 0.90 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL3426735 0.89 SMO (0.49) KMT2AMEN1SMOALDH1A1NPC1
SCHEMBL1061681 0.89 CXCR3 (0.45) KMT2AMEN1SMOALDH1A1MAPT
SCHEMBL1055131 0.89 SMO (0.53) KMT2AMEN1SMOALDH1A1MAPT
SCHEMBL1058048 0.89 SMN1; SMN2 (0.47) SMOMAPTKDM4EPOLBNPC1
SCHEMBL10004229 0.88 LMNA (0.50) KMT2AMEN1SMOALDH1A1MAPT
SCHEMBL1057745 0.88 SMO (0.51) KMT2AMEN1SMOALDH1A1MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
EP-2471791-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
EP-2471791-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO 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 (3 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 453/4885MEN1 1922/4885SMO 1/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885MEN1 2094/4885SMO 1/4885
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KMT2A 423/4885MEN1 335/4885SMO 1/4885

“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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