SCHEMBL15545672

SCHEMBL15545672

CN(C)CCOc1ccc(Br)cc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HRH3 Q9Y5N1 4/20 0.41
CYP19A1 P11511 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 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
SCHEMBL3879526 0.84 KCNH2 (0.43) GAAKDM4EALDH1A1HTR7CYP19A1
SCHEMBL29134872 0.81 PTPN1 (0.54) GAAALDH1A1LMNASLC22A12CYP19A1
SCHEMBL30016133 0.81 PTPN1 (0.54) GAAALDH1A1LMNASLC22A12CYP19A1
SCHEMBL17363249 0.76 ACLY (0.54) GAAALDH1A1SLC22A12
SCHEMBL15556513 0.76 CA1 (0.39) KDM4EALDH1A1HRH3CYP19A1MAOB
SCHEMBL16095392 0.74 EGFR (0.60) KDM4EALDH1A1LMNATDP1
SCHEMBL21513226 0.74 CACNA1B (0.49) GAAKDM4EALDH1A1LMNATDP1
SCHEMBL21513221 0.74 PGR (0.49) KDM4EALDH1A1LMNATDP1
SCHEMBL4856463 0.73 PTGDR2 (0.57) GAAKDM4EALDH1A1LMNATDP1
SCHEMBL15545676 0.72 HTR7 (0.51) GAAKDM4EALDH1A1LMNATDP1

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
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
EP-2867233-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2015-05-06 EP disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 GAA 1555/4885KDM4E 1504/4885ALDH1A1 2748/4885

“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.