SCHEMBL10004300

SCHEMBL10004300

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(Cc3ccccc3Cl)c(C)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ HPGD P15428 5/20 0.48
▸ ALDH1A1 P00352 12/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 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
SCHEMBL10004560 0.90 TDP1 (0.48) TDP1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL10004065 0.89 KMT2A (0.43) HPGDALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL10004255 0.89 CMA1 (0.41) TDP1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL10004316 0.88 KDM4E (0.52) TDP1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL10004501 0.86 ALDH1A1 (0.43) HPGDALDH1A1LMNAHSD17B10HTT
SCHEMBL10004019 0.86 KMT2A (0.51) HPGDALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL10004629 0.84 PDE1A (0.46) TDP1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL10003752 0.83 MAPT (0.47) HPGDALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL10004174 0.83 LMNA (0.44) ALDH1A1LMNAKDM4EMAPTCYP2C9
SCHEMBL1062445 0.82 SMO (0.48) TDP1HPGDALDH1A1SMN1; SMN2LMNA

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-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH TDP1 3899/4885HPGD 539/4885ALDH1A1 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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