SCHEMBL10003274

SCHEMBL10003274

CCOC(=O)c1c(Cl)nc(CC)c(Br)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37

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
SCHEMBL10003101 0.78 HTT (0.37) HTTMAPTADORA3SMN1; SMN2PDE4D
SCHEMBL15155090 0.75 ADORA3 (0.49) MAPTADORA3CA12CA1CA2
SCHEMBL30843852 0.73 HTT (0.55) HTTMAPTALOX15TSHRADORA3
SCHEMBL26967885 0.73 HTT (0.55) HTTMAPTALOX15TSHRADORA3
SCHEMBL12490914 0.73 ADORA3 (0.49) HTTMAPTADORA3CA12CA1
SCHEMBL10004418 0.73 PDE4D (0.44) HTTMAPTTSHRADORA3CA12
SCHEMBL10004608 0.72 SMN1; SMN2 (0.47) MAPTTSHRADORA3HSD17B10CA12
SCHEMBL9124409 0.72 MAPT (0.43) MAPTTSHRADORA3TDP1PDE4D
SCHEMBL18276979 0.71 APLNR (0.39) HTTMAPTALOX15TSHRHSD17B10
SCHEMBL537829 0.71 MAPT (0.48) MAPTTSHRCA12CA1CA2

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 3635/4885MAPT 4783/4885ALOX15 2403/4885

“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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