SCHEMBL339824

SCHEMBL339824

COc1ccc(-c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.44
FYN P06241 9/20 0.43
LYN P07948 1/20 0.42
GRM7 Q14831 1/20 0.39
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL869021 0.86 DPP4 (0.45) RIPK2FYNLYNDPP4DPP8
SCHEMBL339319 0.85 DPP4 (0.48) RIPK2FYNLYNDPP4DPP8
SCHEMBL339336 0.84 DPP4 (0.43) RIPK2FYNDPP4DPP8DPP9
SCHEMBL339141 0.83 DPP4 (0.43) RIPK2FYNDPP4DPP8DPP9
SCHEMBL339714 0.82 DPP4 (0.45) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL338487 0.82 DPP4 (0.46) RIPK2LYNDPP4DPP8DPP9
SCHEMBL339884 0.81 CYP3A4 (0.40) FYNDPP4DPP8DPP9PRMT5
SCHEMBL338630 0.80 DPP4 (0.45) RIPK2FYNLYNDPP4DPP8
SCHEMBL339203 0.79 KDR (0.44) FYNDPP4DPP8DPP9TSHR
SCHEMBL338576 0.76 DPP4 (0.40) DPP4DPP8DPP9

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 10 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
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 RIPK2 2858/4885FYN 4200/4885LYN 2823/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC RIPK2 2858/4885FYN 4200/4885LYN 2823/4885

“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.