SCHEMBL10003196

SCHEMBL10003196

CCOC(=O)c1nc(N)c(C)nc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL10003306 0.88 RAB9A (0.47) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL10003209 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL10003881 0.79 HTT (0.53) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL10003253 0.78 MEN1 (0.44) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL10003005 0.78 MEN1 (0.47) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL20921165 0.77 MAPK1 (0.47) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL5616408 0.77 MAPT (0.65) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL23860315 0.74 LMNA (0.48) MEN1KMT2AHSP90AA1RAB9AALDH1A1
SCHEMBL10003358 0.74 MEN1 (0.45) MEN1KMT2AHSP90AA1RAB9ASMN1; SMN2
SCHEMBL21750060 0.73 GABRA1 (0.44) MEN1KMT2AHSP90AA1RAB9AALDH1A1

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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