SCHEMBL15519213

SCHEMBL15519213

Cc1nc(NCC2COC(C)(C)O2)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ IGF1R P08069 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TNK2 Q07912 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL15509016 1.00 CA2 (0.38) CA2IGF1RALDH1A1HPGDMAPK1
SCHEMBL15508939 0.76 CA2 (0.39) CA2ALDH1A1NPSR1BUB1
SCHEMBL16991372 0.76 CA2 (0.39) CA2ALDH1A1NPSR1BUB1
SCHEMBL15509063 0.76 CA2 (0.39) CA2ALDH1A1NPSR1BUB1
SCHEMBL18536575 0.73 HCRTR2 (0.30) —
SCHEMBL30850769 0.73 MAPK8 (0.40) CA2ALDH1A1HPGDMAPK1CDK2
SCHEMBL1585799 0.72 CA2 (0.41) CA2ALDH1A1HPGDMAPK1NPSR1
SCHEMBL15519467 0.71 CA2 (0.36) CA2ALDH1A1MAPK1NPSR1MEN1
SCHEMBL15508951 0.71 CA2 (0.36) CA2ALDH1A1MAPK1NPSR1MEN1
SCHEMBL850274 0.70 CA2 (0.43) CA2ALDH1A1HPGDMAPK1NPSR1

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-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 CA2 3601/4885IGF1R 456/4885ALDH1A1 433/4885

“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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