SCHEMBL15599411

SCHEMBL15599411

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4ccc(N5CCOCC5)cc4)cnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
PTPN11 Q06124 1/20 0.47
PIK3CA P42336 2/20 0.46
AKT1 P31749 1/20 0.46
MTOR P42345 1/20 0.46
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP4K1 Q92918 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK10 P53779 1/20 0.40
IL2 P60568 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL18891807 0.91 BRD4 (0.48) BRD4PTPN11PIK3CAAKT1MTOR
SCHEMBL15599399 0.90 MAP4K1 (0.52) BRD4PTPN11MAP4K1KMT2AMEN1
SCHEMBL13746506 0.90 BRD4 (0.57) BRD4PIK3CAAKT1MTORGAA
SCHEMBL29086771 0.89 BRD4 (0.49) BRD4PTPN11PIK3CAAKT1MTOR
SCHEMBL20503865 0.87 BRD4 (0.45) BRD4PTPN11PIK3CAAKT1MTOR
SCHEMBL17282547 0.86 BRD4 (0.45) BRD4PTPN11MAPTMAP4K1KMT2A
SCHEMBL15599352 0.84 BRD4 (0.43) BRD4PTPN11MAPTMAP4K1KMT2A
SCHEMBL29253765 0.84 PRKAB1 (0.47) BRD4
SCHEMBL15556363 0.83 MEN1 (0.49) BRD4PTPN11PIK3CAMAPTSMN1; SMN2
SCHEMBL1850782 0.82 BRD4 (0.64) BRD4PTPN11MAPTGAASMN1; SMN2

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
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-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
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 564/4885PIK3CA 96/4885

“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.