SCHEMBL10004663

SCHEMBL10004663

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 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
SCHEMBL10003872 0.89 SMO (0.40) MAPTGAAALDH1A1ADORA1ALOX5
SCHEMBL10003782 0.89 MAPT (0.43) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL10004416 0.87 MAPT (0.44) MAPTGAAALDH1A1ADORA1ALOX5
SCHEMBL10004452 0.87 ADORA1 (0.38) MAPTGAAALDH1A1ADORA1ALOX5
SCHEMBL10003740 0.87 SMO (0.45) MAPTGAAALDH1A1ADORA1ALOX5
SCHEMBL10004543 0.86 ALDH1A1 (0.57) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL10003684 0.82 MAPT (0.44) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL10004430 0.81 PPARG (0.43) —
SCHEMBL10004261 0.79 SMO (0.45) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL10003808 0.79 GABRA2 (0.40) MAPTGAAALDH1A1KDM4EPKM

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 MAPT 4783/4885GAA 3144/4885ALDH1A1 321/4885

“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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