SCHEMBL338630

SCHEMBL338630

NCc1cc2ncc(-c3cccc(F)c3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.45
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
RIPK2 O43353 1/20 0.37
LYN P07948 1/20 0.37
PRMT5 O14744 4/20 0.37
WDR77 Q9BQA1 4/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
FYN P06241 1/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK1 O14757 1/20 0.35
CPB2 Q96IY4 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL339141 0.89 DPP4 (0.43) DPP4RIPK2PRMT5WDR77DPP8
SCHEMBL339714 0.88 DPP4 (0.45) DPP4KDRPRMT5WDR77DPP8
SCHEMBL338487 0.88 DPP4 (0.46) DPP4FGFR3KDRRIPK2LYN
SCHEMBL339336 0.88 DPP4 (0.43) DPP4RIPK2PRMT5WDR77DPP8
SCHEMBL339203 0.84 KDR (0.44) DPP4KDRDPP8DPP9FYN
SCHEMBL339884 0.83 CYP3A4 (0.40) DPP4KDRPRMT5WDR77DPP8
SCHEMBL339824 0.80 RIPK2 (0.44) DPP4RIPK2LYNPRMT5WDR77
SCHEMBL869021 0.80 DPP4 (0.45) DPP4RIPK2LYNPRMT5WDR77
SCHEMBL8225073 0.78 FLT3 (0.46) DPP4KDRPRMT5WDR77FYN
SCHEMBL338576 0.78 DPP4 (0.40) DPP4DPP8DPP9CYP1A2CYP3A4

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 120/4885FGFR3 2065/4885KDR 3065/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885FGFR3 2065/4885KDR 3065/4885

“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.