SCHEMBL15599358

SCHEMBL15599358

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)c(I)cn4C(=O)OC(C)(C)C)cc2NS(C)(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.51
BACE1 P56817 3/20 0.42
PIK3CD O00329 2/20 0.40
GPR119 Q8TDV5 5/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KIT P10721 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL17282549 0.88 PIK3CA (0.46) PIK3CABACE1PIK3CDGPR119BRD4
SCHEMBL17282548 0.84 SMPD3 (0.48) PIK3CAPIK3CDGPR119NR1H2NR1H3
SCHEMBL21590168 0.84 WDR5 (0.41) BACE1
SCHEMBL15556549 0.81 PIK3CA (0.43) PIK3CABACE1PIK3CDKITEGFR
SCHEMBL15560999 0.80 ALK (0.43) PIK3CAPIK3CDGPR119
SCHEMBL15557552 0.80 FYN (0.41) PIK3CAPIK3CDBRD4PIK3CG
SCHEMBL28502006 0.79 MAP4K1 (0.44) GPR119NR1H2NR1H3KIT
SCHEMBL28514984 0.78 FGFR1 (0.38)
SCHEMBL17273391 0.78 ALK (0.44) PIK3CABACE1PIK3CDGPR119
SCHEMBL28507697 0.76 CHEK1 (0.48)

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 PIK3CA 96/4885BACE1 3070/4885PIK3CD 136/4885

“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.