SCHEMBL797169

SCHEMBL797169

CC(c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)nc1)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PIK3CA P42336 3/20 0.30
MTOR P42345 3/20 0.30

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
SCHEMBL796822 0.85 HCAR2 (0.33) RAB9A
SCHEMBL10286911 0.82 NPC1 (0.33) NPC1RAB9AUSP2LMNAALOX15
SCHEMBL15480817 0.81 DHFR (0.36) NPC1RAB9ALMNATSHRL3MBTL1
SCHEMBL795257 0.80 HDAC4 (0.35)
SCHEMBL796459 0.79 HDAC4 (0.33)
SCHEMBL796527 0.79 GRM5 (0.38) ALDH1A1
SCHEMBL796056 0.78 NPC1 (0.41) NPC1RAB9AUSP2LMNAL3MBTL1
SCHEMBL797277 0.77 CASP3 (0.45) LMNA
SCHEMBL795346 0.77 ATR (0.36) TSHRALDH1A1
SCHEMBL795360 0.77 PKM (0.48) NPC1RAB9ALMNAALOX15TSHR

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 NPC1 3204/4885RAB9A 4766/4885USP2 3711/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885USP2 3711/4885

“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.