SCHEMBL795403

SCHEMBL795403

N#Cc1nc(N)nc(Nc2cccc(F)c2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTSK P43235 4/20 0.37
▸ CTSL P07711 3/20 0.37
▸ CTSS P25774 3/20 0.37
▸ CTSB P07858 2/20 0.37
▸ SLC29A2 Q14542 1/20 0.37

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
SCHEMBL17220341 0.86 LMNA (0.43) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17220307 0.86 NPC1 (0.45) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL795933 0.78 TSHR (0.46) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17220301 0.78 DHFR (0.45) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17220316 0.76 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17219998 0.75 CTSK (0.62) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL796672 0.73 CTSK (0.61) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17220135 0.73 RAB9A (0.40) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17219919 0.72 RAB9A (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17219917 0.72 TSHR (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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 6 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
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 MAPT 2602/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885NPC1 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.

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