SCHEMBL808327

SCHEMBL808327

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3C[C@@H]4[C@@H](COCC(F)(F)F)[C@@H]4C3)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL15477411 1.00 ALDH1A1 (0.32) ALDH1A1HDAC4HDAC8HDAC6KCNH2
SCHEMBL795797 0.93 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL808345 0.93 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL795591 0.89 KCNH2 (0.33) KCNH2MCHR1
SCHEMBL15480828 0.89 KCNH2 (0.33) KCNH2MCHR1
SCHEMBL795714 0.88 HDAC4 (0.39) ALDH1A1HDAC4HDAC8HDAC6KCNH2
SCHEMBL15480830 0.87 CPT1A (0.34) KCNH2MCHR1
SCHEMBL796478 0.87 CPT1A (0.34) KCNH2MCHR1
SCHEMBL16406142 0.86
SCHEMBL795523 0.85 KCNH2 (0.36) ALDH1A1KCNH2MCHR1

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-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
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 (1 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-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885HDAC4 781/4885HDAC8 1555/4885

“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.