Sugi Predict

Sugi Predict / Compounds / SCHEMBL338487

SCHEMBL338487

SCHEMBL338487

Cc1cccc(-c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.46
▸ DPP8 Q6V1X1 7/20 0.46
▸ DPP9 Q86TI2 6/20 0.46
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 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
SCHEMBL339714 0.88 DPP4 (0.45) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL338630 0.88 DPP4 (0.45) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL8225073 0.86 FLT3 (0.46) DPP4CYP3A4CYP2C19CYP1A2GABRG2
SCHEMBL339203 0.84 KDR (0.44) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL339336 0.83 DPP4 (0.43) DPP4DPP8DPP9RIPK2PRMT5
SCHEMBL339884 0.83 CYP3A4 (0.40) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL339141 0.82 DPP4 (0.43) DPP4DPP8DPP9RIPK2PRMT5
SCHEMBL339824 0.82 RIPK2 (0.44) DPP4DPP8DPP9RIPK2LYN
SCHEMBL869021 0.82 DPP4 (0.45) DPP4DPP8DPP9RIPK2LYN
SCHEMBL339319 0.79 DPP4 (0.48) DPP4DPP8DPP9CYP3A4RIPK2

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 DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.