SCHEMBL10002893

SCHEMBL10002893

CCc1nc2c(cc1NC(=O)c1cscc1OC)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 6/20 0.36
▸ BRD4 O60885 2/20 0.34
▸ DHODH Q02127 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TERT O14746 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
SCHEMBL10003111 0.91 MAPT (0.37) BRPF1BRD4ALDH1A1MEN1KMT2A
SCHEMBL10003671 0.84 SMO (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10003577 0.82 HPGD (0.36) BRPF1KMT2ANPC1
SCHEMBL10004164 0.81 BRPF1 (0.47) BRPF1GAAALDH1A1MEN1KMT2A
SCHEMBL10003652 0.79 MAPT (0.44) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10003457 0.79 KMT2A (0.38) BRPF1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL10003724 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10003373 0.78 PRSS12 (0.38) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL10003372 0.74 ELANE (0.36) BRPF1GAAALDH1A1MEN1KMT2A
SCHEMBL10292588 0.73 BRPF1 (0.45) BRPF1GAAALDH1A1SMN1; SMN2NPC1

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 1937/4885BRD4 317/4885DHODH 48/4885

“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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