SCHEMBL10003358

SCHEMBL10003358

CCOC(=O)c1nc(OCc2ccccc2)c(CC)cc1NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ PPIA P62937 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CSNK1D P48730 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL10003005 0.84 MEN1 (0.47) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL10002954 0.84 KMT2A (0.47) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL10004130 0.78 KMT2A (0.44) MEN1KMT2AHSP90AA1GABRA1GABRG2
SCHEMBL10003306 0.74 RAB9A (0.47) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL10003253 0.74 MEN1 (0.44) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL10003209 0.74 MEN1 (0.48) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL10003196 0.74 MEN1 (0.48) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A
SCHEMBL5616408 0.73 MAPT (0.65) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL10003200 0.72 HTT (0.51) SMN1; SMN2RAB9APPIAALDH1A1MAPT
SCHEMBL10003881 0.71 HTT (0.53) MEN1KMT2AHSP90AA1SMN1; SMN2RAB9A

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 MEN1 335/4885KMT2A 423/4885HSP90AA1 4693/4885

“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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