Sugi Predict

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SCHEMBL796007

SCHEMBL796007

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCC(Oc4ccccc4)CC3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 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
SCHEMBL794854 0.94 ACACB (0.39) L3MBTL1POLBACACBALDH1A1NPSR1
SCHEMBL796262 0.94 ACACB (0.39) L3MBTL1POLBACACBALDH1A1NPSR1
SCHEMBL794822 0.90 ACACB (0.44) L3MBTL1POLBACACBALDH1A1NPSR1
SCHEMBL795779 0.88 GPR119 (0.38) L3MBTL1POLBGPR119ALDH1A1TP53
SCHEMBL796506 0.86 L3MBTL1 (0.42) L3MBTL1POLBGPR119ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17220461 0.86 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1NPSR1MAPT
SCHEMBL796710 0.86 GPR119 (0.38) L3MBTL1POLBCARM1PRMT6GPR119
SCHEMBL796022 0.86 CARM1 (0.38) L3MBTL1POLBCARM1PRMT6ALDH1A1
SCHEMBL796566 0.85 L3MBTL1 (0.41) L3MBTL1POLBALDH1A1NPSR1MAPT
SCHEMBL795325 0.85 RAB9A (0.45) L3MBTL1ALDH1A1NPSR1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 — — EP disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 — — EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 — — US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 — — US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 — — US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 — — US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 — — US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 — — US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 — — US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 — — US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 — — US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 — — EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 — — 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885POLB 3927/4885ACACB 2165/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885POLB 3927/4885ACACB 2165/4885

“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.