SCHEMBL3223388

SCHEMBL3223388

COc1ccc2c(c1)c(C=O)c(C(=O)N(C)C)n2CCN1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CDC7 O00311 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER4 P35408 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
OPRK1 P41145 2/20 0.37
CNR2 P34972 3/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1429489 0.94 CNR2 (0.39) PTGER4CNR2PIK3CAMTORPIK3CG
SCHEMBL1429715 0.86 PLA2G2A (0.41) CDC7PTGER4KDM2BOPRK1CNR2
SCHEMBL1428826 0.85 PIK3CA (0.46) CDC7MEN1KMT2APTGER4CNR2
SCHEMBL3229739 0.85 PIK3CA (0.48) PTGER4CNR2PIK3CAMTORPIK3CG
SCHEMBL1429503 0.81 PTGER4 (0.44) MEN1KMT2APTGER4PIK3CAMTOR
SCHEMBL1429062 0.80 PIK3CA (0.63) PIK3CAMTORPIK3CG
SCHEMBL4327066 0.80 PIK3CA (0.63) PIK3CAMTORPIK3CG
SCHEMBL1428706 0.80 PLA2G2A (0.42) PTGER4CNR2PIK3CAMTORPIK3CG
SCHEMBL1429311 0.79 KDM4E (0.45) KMT2APTGER4PIK3CAMTORPIK3CG
SCHEMBL1429752 0.79 KMT2A (0.54) KMT2APTGER4PIK3CAMTORPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US 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 (2 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 HRH3 1676/4885CDC7 602/4885MEN1 827/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR HRH3 1946/4885CDC7 606/4885MEN1 1554/4885

“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.