SCHEMBL10003283

SCHEMBL10003283

CCOC(=O)c1c(OC(C)C)c2cc(NC(=O)c3ccccc3)c(CC)nc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10004164 0.92 BRPF1 (0.47) BRPF1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003487 0.91 LMNA (0.48) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL10003256 0.91 BRPF1 (0.46) BRPF1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003091 0.91 ADORA2A (0.45) SMN1; SMN2RAB9ANPC1GAAADORA2A
SCHEMBL10292588 0.89 BRPF1 (0.45) BRPF1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003372 0.88 ELANE (0.36) BRPF1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003936 0.87 BRPF1 (0.43) BRPF1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003458 0.87 HSD17B10 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL10293041 0.86 BRPF1 (0.43) BRPF1SMN1; SMN2RAB9AGAAKCNK3
SCHEMBL10293264 0.86 BRPF1 (0.43) BRPF1SMN1; SMN2KCNK3KCNK9TP53

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 1937/4885SMN1; SMN2 3164/4885RAB9A 1389/4885

“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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