SCHEMBL10003752

SCHEMBL10003752

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(CCc3ccccc3)c(C)nc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MCOLN3 Q8TDD5 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
SCHEMBL10003861 0.93 ALDH1A1 (0.43) MAPTSMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL10004065 0.92 KMT2A (0.43) SMN1; SMN2HSD17B10TSHRALDH1A1MEN1
SCHEMBL10004174 0.85 LMNA (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10004613 0.85 ALDH1A1 (0.37) MAPTSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL10004501 0.85 ALDH1A1 (0.43) MAPTHSD17B10TSHRALDH1A1MEN1
SCHEMBL10004316 0.85 KDM4E (0.52) MAPTSMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL10004019 0.85 KMT2A (0.51) MAPTSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL10004914 0.84 MAPT (0.45) MAPTSMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL10004565 0.84 ALDH1A1 (0.42) MAPTSMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL10004629 0.83 PDE1A (0.46) MAPTSMN1; SMN2HSD17B10TSHRALDH1A1

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 MAPT 4783/4885SMN1; SMN2 3164/4885HSD17B10 1201/4885

“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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