SCHEMBL338998

SCHEMBL338998

CC(C)CNc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2c(N3CCOCC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
MTOR P42345 1/20 0.41
GRM2 Q14416 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
CRHR1 P34998 1/20 0.38
AR P10275 1/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DPP4 P27487 1/20 0.34
PIK3R1 P27986 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
SCHEMBL338673 0.86 DPP4 (0.43) PIK3CACNR2CRHR1ARKDM4E
SCHEMBL338698 0.83 PIK3CA (0.46) PIK3CAMTORGRM2CNR2CRHR1
SCHEMBL339783 0.81 PIK3CA (0.44) PIK3CAMTORGRM2CNR2CRHR1
SCHEMBL339960 0.77 DPP4 (0.44) PIK3CACNR2CRHR1ARNPC1
SCHEMBL13657927 0.77 PIK3CA (0.41) PIK3CAMTORGRM2CNR2CRHR1
SCHEMBL8230186 0.76 GRM2 (0.43) PIK3CAMTORGRM2CRHR1KDM4E
SCHEMBL338626 0.76 DPP4 (0.45) PIK3CACNR2CRHR1ARKDM4E
SCHEMBL338993 0.76 DPP4 (0.43) DPP4
SCHEMBL340150 0.76 DPP4 (0.43) DPP4SOS1
SCHEMBL339026 0.76 DPP4 (0.46) PIK3CACNR2CRHR1ARKDM4E

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-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-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (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 1666/4885MTOR 826/4885GRM2 2465/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885MTOR 826/4885GRM2 2465/4885

“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.