SCHEMBL795602

SCHEMBL795602

Nc1nc(Nc2cccc(Cl)c2)nc(-c2noc(-c3ccccn3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 4/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CDK1 P06493 1/20 0.48
KDR P35968 1/20 0.48
CDK9 P50750 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
ROCK1 Q13464 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CAMK2D Q13557 1/20 0.43
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL795935 0.88 RAB9A (0.48) GRM5RAB9AMAPTNPC1TP53
SCHEMBL795559 0.83 GRM5 (0.47) GRM5RAB9AMAPTNPC1TP53
SCHEMBL795831 0.80 CASP3 (0.48) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL797199 0.79 GRM5 (0.45) GRM5RAB9AMAPTNPC1TP53
SCHEMBL16388547 0.77 L3MBTL1 (0.51) GRM5RAB9AMAPTNPC1TP53
SCHEMBL796837 0.75 CDK9 (0.46) GRM5RAB9AMAPTNPC1TP53
SCHEMBL14869861 0.74 MAPT (0.62) GRM5RAB9AMAPTNPC1CDK1
SCHEMBL795351 0.74 BRAF (0.40) GRM5RAB9AMAPTNPC1TP53
SCHEMBL16402496 0.74 KDM4E (0.65) RAB9AMAPTNPC1SMN1; SMN2TSHR
SCHEMBL30144801 0.74 KDM4E (0.65) RAB9AMAPTNPC1SMN1; SMN2TSHR

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 4766/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885RAB9A 4766/4885MAPT 2602/4885

“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.