SCHEMBL808199

SCHEMBL808199

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C#N)nc3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
GRM5 P41594 2/20 0.34
DHFR P00374 2/20 0.34
RAB9A P51151 4/20 0.33
TP53 P04637 3/20 0.33
PKM P14618 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
S1PR1 P21453 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL797145 0.86 TP53 (0.36) ALOX5APMAPTTSHRSMN1; SMN2LMNA
SCHEMBL796391 0.85 DHFR (0.38) ALOX5APMAPTTSHRSMN1; SMN2LMNA
SCHEMBL796510 0.85 TP53 (0.37) MAPTTSHRSMN1; SMN2LMNADHFR
SCHEMBL796554 0.85 RAB9A (0.45) ALOX5APMAPTTSHRSMN1; SMN2LMNA
SCHEMBL796016 0.85 TP53 (0.35) MAPTTSHRSMN1; SMN2LMNAGRM5
SCHEMBL796412 0.84 GABRA5 (0.37) ALOX5APMAPTTSHRSMN1; SMN2LMNA
SCHEMBL796775 0.83 DHFR (0.37) MAPTTSHRSMN1; SMN2LMNAGRM5
SCHEMBL795820 0.83 ADORA2A (0.40) MAPTSMN1; SMN2RAB9ATP53PKM
SCHEMBL795503 0.83 NR1H4 (0.47) MAPTTSHRSMN1; SMN2LMNADHFR
SCHEMBL795739 0.82 S1PR1 (0.44) ALOX5APMAPTTSHRSMN1; SMN2LMNA

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
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
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 ALOX5AP 305/4885CPT2 897/4885CPT1A 672/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885CPT2 897/4885CPT1A 672/4885

“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.