SCHEMBL10003322

SCHEMBL10003322

CCc1cc2c(cc1NC(=O)c1ccsc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 5/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CTSS P25774 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ EP300 Q09472 1/20 0.32

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
SCHEMBL10004016 0.91 HSD17B10 (0.39) BRPF1HPGDKCNK3KCNK9RAB9A
SCHEMBL10003879 0.88 BRPF1 (0.51) BRPF1HPGDKCNK3KCNK9RAB9A
SCHEMBL10003133 0.85 BRPF1 (0.41) BRPF1HPGDRAB9ANPC1KMT2A
SCHEMBL10003219 0.85 MAPT (0.43) BRPF1HPGDNPC1KMT2AALOX15
SCHEMBL10004105 0.85 ELANE (0.34) HPGDKCNK3KCNK9RAB9ANPC1
SCHEMBL10003577 0.84 HPGD (0.36) BRPF1HPGDKCNK3KCNK9RAB9A
SCHEMBL10003397 0.82 SMO (0.41) HPGDKMT2AALOX15MAPK1
SCHEMBL10003912 0.79 EDNRA (0.43) HPGDKCNK3KCNK9RAB9ANPC1
SCHEMBL10003102 0.79 BRPF1 (0.48) BRPF1HPGDKCNK3KCNK9RAB9A
SCHEMBL10004233 0.76 ELANE (0.36) HPGDRAB9ANPC1KMT2ATSHR

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 BRPF1 1937/4885HPGD 539/4885KCNK3 3792/4885

“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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