SCHEMBL339528

SCHEMBL339528

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C19 P33261 5/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP9 Q86TI2 2/20 0.40
KCNH2 Q12809 1/20 0.40
GSK3B P49841 1/20 0.38
EPHB4 P54760 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL339163 0.85 DPP4 (0.44) DPP4DPP8DPP9GSK3B
SCHEMBL1911456 0.84 DPP4 (0.40) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL339648 0.84 DPP4 (0.44) DPP4CYP3A4DPP8GSK3BCYP1A2
SCHEMBL339691 0.84 GSK3B (0.41) DPP4DPP8DPP9GSK3B
SCHEMBL340317 0.83 DPP4 (0.46) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL338266 0.83 DPP4 (0.44) DPP4DPP8GSK3BCNR1
SCHEMBL868860 0.82 DPP4 (0.43) DPP4CYP3A4DPP8GSK3BCYP1A2
SCHEMBL338833 0.82 DPP4 (0.39) DPP4DPP8DPP9GSK3B
SCHEMBL338893 0.81 DPP4 (0.41) DPP4CYP3A4DPP8GSK3B
SCHEMBL340316 0.80 DPP4 (0.48) DPP4DPP8DPP9GSK3B

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-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-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.