SCHEMBL807929

SCHEMBL807929

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(-c3ccc(OCC4CC4)nc3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
CDK2 P24941 4/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
GABRA5 P31644 2/20 0.38
S1PR1 P21453 1/20 0.37
BUB1 O43683 1/20 0.36
CDK1 P06493 3/20 0.36
CNR2 P34972 1/20 0.35
KLKB1 P03952 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL807780 0.85 ACHE (0.38) ACHEGABRA5S1PR1CNR2KLKB1
SCHEMBL15476996 0.85 SMN1; SMN2 (0.40) ACHEGABRA5S1PR1CNR2
SCHEMBL795645 0.81 ACHE (0.40) ACHEGABRA5S1PR1CNR2
SCHEMBL807919 0.77 MAPT (0.38) ACHEGABRA5S1PR1
SCHEMBL795633 0.77 CNR2 (0.36) ACHECDK2CCNA2CCNA1S1PR1
SCHEMBL795752 0.77 KMT2A (0.43) GABRA5S1PR1
SCHEMBL15477413 0.76 BACE2 (0.39) GABRA5
SCHEMBL795269 0.75 EPHX2 (0.39) ACHEGABRA5
SCHEMBL794640 0.75 ACHE (0.38) ACHEGABRA5S1PR1KLKB1
SCHEMBL795445 0.75 ACHE (0.39) ACHEGABRA5S1PR1CNR2KLKB1

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 9 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-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
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 ACHE 260/4885CDK2 1171/4885CCNA2 1845/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACHE 260/4885CDK2 1171/4885CCNA2 1845/4885

“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.