SCHEMBL797199

SCHEMBL797199

Nc1nc(Nc2cccc(Cl)c2F)nc(-c2noc(-c3ccccn3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
RAB9A P51151 8/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 5/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 4/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MITF O75030 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL795559 0.84 GRM5 (0.47) GRM5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL795193 0.81 CASP3 (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL795602 0.79 GRM5 (0.52) GRM5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL795935 0.79 RAB9A (0.48) GRM5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL27929094 0.74 RAB9A (0.37) GRM5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL17219954 0.72 TSHR (0.54) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL796837 0.71 CDK9 (0.46) GRM5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL796382 0.70 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL795322 0.69 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL22468050 0.67 KDM4E (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT

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
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
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 GRM5 67/4885RAB9A 4766/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885RAB9A 4766/4885NPC1 3204/4885

“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.