SCHEMBL338589

SCHEMBL338589

Cc1ccc(-c2cn3c(C(=O)N4CCOCC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 5/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MKNK1 Q9BUB5 5/20 0.37

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
SCHEMBL340180 0.91 DPP4 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL1911459 0.90 CNR1 (0.36) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL338618 0.86 DPP4 (0.40) HTTALDH1A1KMT2AMEN1DPP4
SCHEMBL338615 0.85 SLC6A7 (0.43) KDM4EHSD17B10RAB9A
SCHEMBL1913151 0.85 CYP46A1 (0.36) PIK3CADPP4
SCHEMBL338672 0.83 DPP4 (0.49) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL338617 0.81 PIK3CA (0.38) PIK3CAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL1911461 0.80 DPP4 (0.37) DPP4DPP8DPP9
SCHEMBL340132 0.78 P2RX7 (0.39) DPP4DPP8DPP9
SCHEMBL339697 0.78 DPP4 (0.48) ALDH1A1KMT2AMEN1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC PIK3CA 1666/4885PIK3CD 2458/4885PIK3CB 1777/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885PIK3CD 2458/4885PIK3CB 1777/4885

“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.