SCHEMBL795949

SCHEMBL795949

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COCC(F)(F)F)cn3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 1/20 0.33
STAT3 P40763 14/20 0.33
PIK3CA P42336 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CASP3 P42574 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
SCHEMBL808016 0.88 STAT3 (0.38) HDAC4HDAC1STAT3CASP3
SCHEMBL795250 0.88 S1PR1 (0.37) HDAC4HDAC1S1PR1
SCHEMBL797277 0.84 CASP3 (0.45) HDAC4HDAC1STAT3S1PR1S1PR3
SCHEMBL795257 0.83 HDAC4 (0.35) HDAC4HDAC1S1PR1S1PR3S1PR5
SCHEMBL796316 0.83 HDAC1 (0.38) HDAC1PIK3CAS1PR1S1PR3
SCHEMBL795506 0.83 HDAC6 (0.38) HDAC1PIK3CAS1PR1S1PR3
SCHEMBL795870 0.81 ALDH1A1 (0.34)
SCHEMBL795599 0.81 KMT2A (0.39) HDAC4HDAC1STAT3PIK3CA
SCHEMBL795443 0.81 GRM5 (0.30) PIK3CA
SCHEMBL795563 0.81 HDAC4 (0.42) HDAC4HDAC1

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 12 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-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-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
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 HDAC4 781/4885HDAC1 288/4885STAT3 1310/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC4 781/4885HDAC1 288/4885STAT3 1310/4885

“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.