SCHEMBL10003735

SCHEMBL10003735

CCOC(=O)c1c(OC(C)C)c2nc(NC(=O)c3ccccc3)c(C)nc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ P2RX3 P56373 1/20 0.41
▸ APP P05067 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ BRPF1 P55201 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL10003034 0.91 HTT (0.44) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003280 0.90 P2RX3 (0.44) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10003506 0.85 P2RX3 (0.50) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003086 0.84 HTT (0.45) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003128 0.83 HTT (0.44) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003256 0.83 BRPF1 (0.46) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10003360 0.82 CYP1A2 (0.47) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL10002910 0.82 BRPF1 (0.40) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10003447 0.81 KDM4E (0.43) ALDH1A1HPGDADORA2AADORA1ADORA3
SCHEMBL10003981 0.80 MAPK1 (0.38) SMN1; SMN2RAB9ANPC1GAAALDH1A1

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 3635/4885SMN1; 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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