SCHEMBL338576

SCHEMBL338576

NCc1cc2ncc(N)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
DPP8 Q6V1X1 10/20 0.40
LMNA P02545 1/20 0.38
DPP9 Q86TI2 4/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1913174 0.89 DPP4 (0.38) DPP4DPP8LMNADPP9MEN1
SCHEMBL339713 0.83 DPP4 (0.40) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL868834 0.82 DPP4 (0.39) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL339714 0.82 DPP4 (0.45) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL340037 0.81 DPP4 (0.39) DPP4DPP8LMNADPP9
SCHEMBL339884 0.81 CYP3A4 (0.40) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL340191 0.81 LMNA (0.42) DPP4DPP8LMNADPP9CYP3A4
SCHEMBL340138 0.80 DPP4 (0.41) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL340137 0.80 DPP4 (0.39) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL339141 0.80 DPP4 (0.43) 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 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 DPP4 120/4885DPP8 403/4885LMNA 3629/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885LMNA 3629/4885

“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.