Sugi Predict

Sugi Predict / Compounds / SCHEMBL795698

SCHEMBL795698

SCHEMBL795698

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(OC4CCCCC4)nc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.36
▸ S1PR1 P21453 4/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ MAP3K12 Q12852 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL795796 0.99 PIK3CA (0.37) PIK3CAS1PR1S1PR3S1PR5GABRA5
SCHEMBL796207 0.97 PIK3CA (0.37) PIK3CAS1PR1S1PR3GABRA5HRH3
SCHEMBL795632 0.92 PIK3CA (0.45) PIK3CAGABRA5ALOX5AP
SCHEMBL794759 0.89 PIK3CA (0.40) PIK3CAGABRA5BCHEACHE
SCHEMBL797058 0.88 ATM (0.36) PIK3CAHRH3ACHEUSP30L3MBTL1
SCHEMBL795820 0.85 ADORA2A (0.40) PIK3CAS1PR1GABRA5BCHEACHE
SCHEMBL796122 0.85 GABRA5 (0.38) S1PR1GABRA5BCHEACHE
SCHEMBL795936 0.84 ALOX5AP (0.38) S1PR1ALOX5AP
SCHEMBL794683 0.83 NPC1 (0.40) PIK3CAS1PR1S1PR3GABRA5BCHE
SCHEMBL10287193 0.83 S1PR1 (0.33) S1PR1BCHEACHEALOX5APL3MBTL1

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 PIK3CA 2806/4885S1PR1 2345/4885S1PR3 1511/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PIK3CA 2806/4885S1PR1 2345/4885S1PR3 1511/4885

“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.