SCHEMBL10004229

SCHEMBL10004229

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ SMO Q99835 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10004576 0.90 LMNA (0.51) LMNASMOHSD17B10GAANPSR1
SCHEMBL1056839 0.88 KMT2A (0.49) LMNASMOKMT2AMEN1KDM4E
SCHEMBL10004405 0.86 KMT2A (0.49) LMNASMOKMT2AMEN1KDM4E
SCHEMBL1055131 0.85 SMO (0.53) LMNASMOKMT2AMEN1ALDH1A1
SCHEMBL1057745 0.85 SMO (0.51) SMOKMT2AMEN1ALDH1A1GAA
SCHEMBL10004753 0.84 KMT2A (0.47) LMNASMOKMT2AMEN1KDM4E
SCHEMBL1062411 0.83 SMO (0.49) LMNASMOKMT2AMEN1ALDH1A1
SCHEMBL1063132 0.83 SMO (0.51) LMNASMOKMT2AMEN1ALDH1A1
SCHEMBL1061982 0.83 SMO (0.65) LMNASMOKMT2AMEN1ALDH1A1
SCHEMBL1061487 0.82 SMO (0.56) LMNASMOKMT2AMEN1ALDH1A1

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
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-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
EP-2471791-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-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH LMNA 4452/4885SMO 1/4885KMT2A 423/4885

“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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