SCHEMBL10003872

SCHEMBL10003872

CCOC(=O)c1c(OCC)c2c(=O)n(-c3ccc(C(F)(F)F)cc3)c(CC)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10003740 0.95 SMO (0.45) SMOADORA1MAPTALDH1A1GAA
SCHEMBL10004452 0.92 ADORA1 (0.38) SMOADORA1MAPTALDH1A1GAA
SCHEMBL10003808 0.90 GABRA2 (0.40) MAPTALDH1A1GAAKDM4EPKM
SCHEMBL10004430 0.90 PPARG (0.43) SMOPPARGPPARA
SCHEMBL10004663 0.89 MAPT (0.41) ADORA1MAPTALDH1A1GAAALOX5
SCHEMBL10004831 0.89 MAPT (0.50) SMOMAPTALDH1A1GAAKDM4E
SCHEMBL10004241 0.88 NPBWR1 (0.43) MAPTALDH1A1GAAKDM4EPKM
SCHEMBL10004261 0.88 SMO (0.45) SMOMAPTALDH1A1GAAKDM4E
SCHEMBL10004932 0.87 SMO (0.50) SMOMAPTALDH1A1GAAKDM4E
SCHEMBL10004847 0.87 SMO (0.45) SMOMAPTALDH1A1KDM4EPPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885ADORA1 2266/4885MAPT 4783/4885

“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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