SCHEMBL15599366

SCHEMBL15599366

COc1cc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cnc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
PTPN11 Q06124 1/20 0.41
CTSL P07711 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BACE1 P56817 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
RORC P51449 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CYP3A4 P08684 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL17286277 0.90 BRD4 (0.44) BRD4PTPN11RORCMMP8MEN1
SCHEMBL15556465 0.90 BRD4 (0.49) BRD4PTPN11AAK1MAP4K1CYP3A4
SCHEMBL20414017 0.85 BRD4 (0.44) BRD4PTPN11RORCMMP8MMP3
SCHEMBL17952435 0.84 BRD4 (0.45) BRD4PTPN11RORCMMP8MEN1
SCHEMBL20414016 0.82 BRD4 (0.41) BRD4PTPN11KDRRORCMMP8
SCHEMBL721044 0.81 BRD4 (0.51) BRD4PTPN11MAP4K1CYP3A4DRD2
SCHEMBL15599328 0.80 SMPD3 (0.41) BRD4PTPN11PIK3CAMEN1KMT2A
SCHEMBL15556171 0.80 SMPD3 (0.43) BRD4PTPN11PIK3CDPIK3CAPIK3CG
SCHEMBL10165243 0.79 BRD4 (0.49) BRD4PTPN11MAP4K1CYP3A4DRD2
SCHEMBL15560345 0.78 BRD4 (0.51) BRD4PTPN11MEN1POLBKMT2A

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 3 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
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 BRD4 639/4885PTPN11 564/4885CTSL 3500/4885

“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.