SCHEMBL10003101

SCHEMBL10003101

CCOC(=O)c1c(Cl)nc(CC)c(Br)c1OC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ ADORA3 P0DMS8 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ PRTN3 P24158 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL10003026 0.79 HTT (0.33) HTTADORA3ALDH1A1SMN1; SMN2
SCHEMBL10003274 0.78 HTT (0.40) HTTKDM4EADORA3LMNAPKM
SCHEMBL10003662 0.72 GAA (0.33) PKMMAPTALDH1A1GAAELANE
SCHEMBL10003521 0.69 KDM4E (0.33) KDM4EALDH1A1HPGDPOLBELANE
SCHEMBL15155090 0.68 ADORA3 (0.49) KDM4EADORA3LMNAPKMMAPT
SCHEMBL10004418 0.66 PDE4D (0.44) HTTKDM4EADORA3LMNAPKM
SCHEMBL12490914 0.66 ADORA3 (0.49) HTTKDM4EADORA3LMNAPKM
SCHEMBL10004608 0.66 SMN1; SMN2 (0.47) KDM4EADORA3LMNAPKMMAPT
SCHEMBL9124409 0.65 MAPT (0.43) KDM4EADORA3LMNAPKMMAPT
SCHEMBL537829 0.65 MAPT (0.48) KDM4ELMNAPKMMAPTALDH1A1

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 HTT 3635/4885KDM4E 405/4885ADORA3 2049/4885

“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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