SCHEMBL794856

SCHEMBL794856

Nc1nc(Nc2ccccc2)nc(-c2noc(N3CC4C(COCC(F)(F)F)C4C3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL15482842 1.00 L3MBTL1 (0.38) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL796292 0.91 ALDH1A1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15482843 0.91 ALDH1A1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL808031 0.87 L3MBTL1 (0.39) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17226431 0.87 L3MBTL1 (0.39) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL794707 0.87 L3MBTL1 (0.39) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15482835 0.87 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL794310 0.86 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL796279 0.85 ALDH1A1 (0.40) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15477416 0.84 CYP1A2 (0.40) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6

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 L3MBTL1 4747/4885ALDH1A1 439/4885CYP1A2 32/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885CYP1A2 32/4885

“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.