SCHEMBL796470

SCHEMBL796470

Nc1nc(Cl)nc(N2CCc3ccccc32)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.51
ALDH1A1 P00352 8/20 0.51
LMNA P02545 6/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 9/20 0.46
USP2 O75604 4/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HDAC1 Q13547 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL17220118 0.91 ALDH1A1 (0.61) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL5064225 0.91 ALDH1A1 (0.52) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL17486069 0.81 JAK2 (0.53) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL5063173 0.81 JAK2 (0.53) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL12134684 0.81 ALDH1A1 (0.60) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL5058811 0.81 SMN1; SMN2 (0.46) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL9004433 0.80 NPC1 (0.52) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL795520 0.78 ROCK1 (0.48) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL17220343 0.77 ROCK1 (0.47) ROCK1ALDH1A1LMNAHTTNPC1
SCHEMBL5063368 0.74 ALDH1A1 (0.50) ROCK1ALDH1A1LMNAHTTNPC1

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 ROCK1 4181/4885ALDH1A1 439/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ROCK1 4181/4885ALDH1A1 439/4885LMNA 4798/4885

“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.