SCHEMBL15515685

SCHEMBL15515685

COc1nc(N2CCC(O)C2)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.40
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
METAP2 P50579 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GABRA1 P14867 1/20 0.39
ACACB O00763 1/20 0.37
CNR2 P34972 2/20 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
SCHEMBL15509011 1.00 AOC3 (0.41) AOC3SUV39H2PDCD1CD274METAP2
SCHEMBL15141793 0.90 PDCD1 (0.43) PDCD1CD274
SCHEMBL15245424 0.82 METAP2 (0.47) AOC3SUV39H2METAP2SLC6A3GABRA1
SCHEMBL15515065 0.82 METAP2 (0.47) AOC3SUV39H2METAP2SLC6A3GABRA1
SCHEMBL15509070 0.82 METAP2 (0.47) AOC3SUV39H2METAP2SLC6A3GABRA1
SCHEMBL15148382 0.79 LRRK2 (0.33) PDCD1CD274
SCHEMBL15301275 0.77 PRKAB2 (0.48) SUV39H2
SCHEMBL15300693 0.77 PRKAB2 (0.48) SUV39H2
SCHEMBL4550893 0.76 PIK3CA (0.38) AOC3
SCHEMBL2731117 0.76 PIK3CA (0.38) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 EP disclosed
EP-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 EP disclosed
US-9475816-B2 Substituted-1,4-dihydropyrazolo[4,3-b]indoles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
EP-2909212-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES Takeda Pharmaceutical Company Limited (JP) 2015-08-26 EP disclosed
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2014039831-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-13 WO 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-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES GPR119, RPLP2, FOXM1 AOC3 3343/4885SUV39H2 2737/4885PDCD1 4476/4885

“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.