SCHEMBL10003577

SCHEMBL10003577

CCc1nc2c(cc1NC(=O)c1ccsc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ BRPF1 P55201 3/20 0.35
▸ GCK P35557 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TNIK Q9UKE5 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL10003372 0.91 ELANE (0.36) HPGDBRPF1CASP3SENP8SENP7
SCHEMBL10004164 0.88 BRPF1 (0.47) HPGDKCNK3KCNK9BRPF1NPC1
SCHEMBL10003457 0.85 KMT2A (0.38) BRPF1NPC1RAB9AKMT2AADORA3
SCHEMBL10004202 0.85 ELANE (0.33) HPGDKCNK3KCNK9GRM5CASP3
SCHEMBL10003652 0.84 MAPT (0.44) HPGDNPC1RAB9AKMT2A
SCHEMBL10003322 0.84 BRPF1 (0.38) HPGDKCNK3KCNK9BRPF1GCK
SCHEMBL10003649 0.83 SMO (0.38) HPGDKMT2A
SCHEMBL10002893 0.82 BRPF1 (0.36) BRPF1NPC1KMT2A
SCHEMBL10003373 0.82 PRSS12 (0.38) HPGDCASP3SENP8SENP7SENP6
SCHEMBL10003724 0.81 ALDH1A1 (0.40) HPGDNPC1RAB9AKMT2A

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 HPGD 539/4885KCNK3 3792/4885KCNK9 3306/4885

“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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