SCHEMBL796373

SCHEMBL796373

CC1CCN(c2nc(-c3nc(N)nc(Nc4cccc(F)c4)n3)no2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
POLB P06746 3/20 0.39
USP2 O75604 1/20 0.39
SLC29A2 Q14542 1/20 0.39
SLC29A1 Q99808 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10287292 0.91 MEN1 (0.41) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL10287200 0.89 MAPK1 (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15477225 0.87 MAPT (0.50) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL796980 0.87 MEN1 (0.39) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL796310 0.78 MAPT (0.42) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL795592 0.77 CTSL (0.42) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL15477215 0.77 RAB9A (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL794305 0.75 KDM4E (0.53) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL795967 0.74 NTRK1 (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL796450 0.74 SMN1; SMN2 (0.45) MAPTMEN1KMT2AMAPK1SMN1; SMN2

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 11 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
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 2602/4885MEN1 4842/4885KMT2A 3938/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885MEN1 4842/4885KMT2A 3938/4885

“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.