Sugi Predict

Sugi Predict / Compounds / SCHEMBL339055

SCHEMBL339055

SCHEMBL339055

NCc1cc2ncc(-c3ccnc(N4CCOCC4)c3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ SMG1 Q96Q15 2/20 0.40
▸ DPP4 P27487 2/20 0.39
▸ NMT1 P30419 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ AR P10275 1/20 0.38
▸ LRRK2 Q5S007 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL367649 0.89 CNR2 (0.53) CNR2DPP4ALDH1A1
SCHEMBL339127 0.82 DPP4 (0.43) CNR2DPP4ARALDH1A1NPC1
SCHEMBL339884 0.81 CYP3A4 (0.40) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL339714 0.78 DPP4 (0.45) DPP4ALDH1A1NPC1RAB9ADPP8
SCHEMBL339891 0.78 DPP4 (0.39) CNR2SMG1DPP4NMT1CDK1
SCHEMBL339336 0.77 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL339203 0.77 KDR (0.44) DPP4CDK2DPP8DPP9CYP1A2
SCHEMBL339141 0.76 DPP4 (0.43) DPP4NPC1RAB9ADPP8DPP9
SCHEMBL338487 0.76 DPP4 (0.46) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL338630 0.76 DPP4 (0.45) 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 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 CNR2 2213/4885SMG1 3944/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CNR2 2213/4885SMG1 3944/4885DPP4 120/4885

“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.