SCHEMBL10003320

SCHEMBL10003320

CCc1cc2c(nc1-n1ccccc1=O)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 3/20 0.32
▸ PPARG P37231 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ BCL2 P10415 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ MCL1 Q07820 1/20 0.30

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
SCHEMBL10003330 0.89 MAPK1 (0.38) ALDH1A1LMNAHPGD
SCHEMBL10003857 0.81 MCL1 (0.36) BRPF1ALDH1A1BRD4BCL2MDM2
SCHEMBL10003440 0.80 SMO (0.45) ALDH1A1
SCHEMBL10003803 0.78 MAPT (0.35) PPARGALDH1A1LMNAHPGDBCL2
SCHEMBL10003106 0.77 GRIA2 (0.37) ALDH1A1LMNAHPGD
SCHEMBL10003186 0.77 BRPF1 (0.44) BRPF1ALDH1A1LMNAHPGD
SCHEMBL10003507 0.77 GRIA2 (0.39) BRPF1ALDH1A1HPGDBRD4
SCHEMBL10003403 0.75 ERCC1 (0.35) ALDH1A1HPGD
SCHEMBL10003551 0.75 GRIA2 (0.37) ALDH1A1LMNAHPGDBCL2MDM2
SCHEMBL10003432 0.73 PDE5A (0.37) BRPF1ALDH1A1HPGDBRD4MCL1

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 1937/4885PPARG 1436/4885ALDH1A1 321/4885

“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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