SCHEMBL795933

SCHEMBL795933

Nc1nc(Cl)nc(Nc2cccc(F)c2F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 1/20 0.41
TNF P01375 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL17219954 0.88 TSHR (0.54) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL17220221 0.88 TSHR (0.53) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL17220066 0.85 RAB9A (0.51) TSHRNPC1RAB9AMAPTKDM4E
SCHEMBL795403 0.78 MAPT (0.38) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL17220400 0.77 TSHR (0.51) TSHRNPC1RAB9ALMNAKDM4E
SCHEMBL11802348 0.77 MAPT (0.68) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL29168033 0.77 P2RX7 (0.42) L3MBTL1KMT2AALDH1A1HPGDMEN1
SCHEMBL17220229 0.76 DHFR (0.48) TSHRNPC1RAB9AMAPTLMNA
SCHEMBL17219917 0.75 TSHR (0.38) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL17219919 0.75 RAB9A (0.36) TSHRNPC1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 TSHR 1712/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TSHR 1712/4885NPC1 3204/4885RAB9A 4766/4885

“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.