SCHEMBL339714

SCHEMBL339714

NCc1cc2ncc(-c3ccccc3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.45
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
KDR P35968 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38
GSK3B P49841 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CSNK2A1 P68400 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL339884 0.90 CYP3A4 (0.40) DPP4CYP3A4CYP2C19CYP1A2KDR
SCHEMBL339203 0.89 KDR (0.44) DPP4CYP3A4CYP2C19CYP1A2KDR
SCHEMBL339141 0.89 DPP4 (0.43) DPP4PRMT5WDR77DPP8DPP9
SCHEMBL8225073 0.89 FLT3 (0.46) DPP4CYP3A4CYP2C19CYP1A2KDR
SCHEMBL338487 0.88 DPP4 (0.46) DPP4CYP3A4CYP2C19CYP1A2KDR
SCHEMBL338630 0.88 DPP4 (0.45) DPP4CYP3A4CYP2C19CYP1A2KDR
SCHEMBL339336 0.86 DPP4 (0.43) DPP4PRMT5WDR77DPP8DPP9
SCHEMBL869021 0.84 DPP4 (0.45) DPP4PRMT5WDR77DPP8DPP9
SCHEMBL339319 0.83 DPP4 (0.48) DPP4CYP3A4MEN1KMT2ADPP8
SCHEMBL339824 0.82 RIPK2 (0.44) DPP4PRMT5WDR77DPP8DPP9

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 DPP4 120/4885CYP3A4 85/4885CYP2C19 193/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885CYP3A4 85/4885CYP2C19 193/4885

“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.