SCHEMBL16991372

SCHEMBL16991372

Cc1nc(NCC2COC(C)(C)O2)c(N)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BUB1 O43683 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL15509063 1.00 CA2 (0.39) CA2ALDH1A1NPSR1BUB1MAPK14
SCHEMBL15508939 1.00 CA2 (0.39) CA2ALDH1A1NPSR1BUB1MAPK14
SCHEMBL15508951 0.81 CA2 (0.36) CA2ALDH1A1NPSR1
SCHEMBL15519467 0.81 CA2 (0.36) CA2ALDH1A1NPSR1
SCHEMBL15519213 0.76 CA2 (0.38) CA2ALDH1A1NPSR1BUB1
SCHEMBL15509016 0.76 CA2 (0.38) CA2ALDH1A1NPSR1BUB1
SCHEMBL1585799 0.76 CA2 (0.41) CA2ALDH1A1NPSR1BUB1
SCHEMBL23750730 0.75 CA2 (0.40) CA2BUB1MAPK14HCRTR1HCRTR2
SCHEMBL23750637 0.75 CA2 (0.40) CA2BUB1MAPK14HCRTR1HCRTR2
SCHEMBL850274 0.71 CA2 (0.43) CA2ALDH1A1NPSR1BUB1MAPK14

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-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
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 — — US 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 CA2 3601/4885ALDH1A1 433/4885NPSR1 253/4885

“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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