SCHEMBL10003111

SCHEMBL10003111

CCOC(=O)c1c(OC(C)C)c2cc(NC(=O)c3cscc3OC)c(CC)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 5/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BRPF1 P55201 3/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL10002893 0.91 BRPF1 (0.36) MAPTALDH1A1BRPF1RXFP1LMNA
SCHEMBL10003372 0.84 ELANE (0.36) MAPTALDH1A1MAPK1HPGDTSHR
SCHEMBL10003283 0.82 BRPF1 (0.45) MAPTALDH1A1HPGDBRPF1LMNA
SCHEMBL10003671 0.81 SMO (0.35) MAPTALDH1A1HPGDHSD17B10LMNA
SCHEMBL10003487 0.80 LMNA (0.48) MAPTALDH1A1MAPK1HPGDTSHR
SCHEMBL10003458 0.80 HSD17B10 (0.50) MAPTALDH1A1MAPK1HPGDTSHR
SCHEMBL10003692 0.79 NPSR1 (0.48) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL10003129 0.79 ALDH1A1 (0.39) MAPTALDH1A1MAPK1HPGDTSHR
SCHEMBL10003577 0.75 HPGD (0.36) HPGDBRPF1KMT2A
SCHEMBL12003569 0.74 MAPT (0.37) MAPTALDH1A1MAPK1TSHRHSD17B10

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 MAPT 4783/4885ALDH1A1 321/4885MAPK1 1616/4885

“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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