SCHEMBL10003647

SCHEMBL10003647

CCOC(=O)c1c(OC(C)C)c2nc(-c3cccs3)c(CC)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ KDM4E B2RXH2 8/20 0.40
▸ CASP1 P29466 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HPGD P15428 6/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ FOS P01100 1/20 0.37
▸ JUN P05412 1/20 0.37

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
SCHEMBL10003403 0.90 ERCC1 (0.35) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10003292 0.85 NPC1 (0.44) MAPTTSHRSMN1; SMN2LMNANPC1
SCHEMBL10003263 0.83 HSD17B10 (0.52) MAPTHSD17B10TSHRSMN1; SMN2LMNA
SCHEMBL10002819 0.82 ALDH1A1 (0.39) MAPTHSD17B10TSHRSMN1; SMN2LMNA
SCHEMBL10003729 0.81 ALDH1A1 (0.42) MAPTHSD17B10TSHRSMN1; SMN2LMNA
SCHEMBL10003197 0.81 GABRA2 (0.45) MAPTHSD17B10SMN1; SMN2LMNANPC1
SCHEMBL10003345 0.81 PDE1A (0.39) MAPTHSD17B10KMT2AMAPK1ALDH1A1
SCHEMBL10003442 0.81 MAPT (0.40) MAPTKMT2AALDH1A1KDM4EFOS
SCHEMBL10004041 0.79 MAPT (0.38) MAPTHSD17B10TSHRSMN1; SMN2LMNA
SCHEMBL10003128 0.78 HTT (0.44) MAPTHSD17B10TSHRSMN1; SMN2LMNA

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 4783/4885HSD17B10 1201/4885TSHR 2374/4885

“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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