SCHEMBL795252

SCHEMBL795252

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3C4C(=O)N(Cc5ccccc5)C(=O)C43)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
TSHR P16473 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 4/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
MT-CO2 P00403 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
SCHEMBL15476965 1.00 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL15476967 1.00 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL15476968 1.00 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL10287203 0.85 ELANE (0.36) TSHRMAPK1MEN1KMT2AL3MBTL1
SCHEMBL797216 0.82 CYP2D6 (0.35) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL794899 0.80 TSHR (0.44) TSHRLMNAMAPK1CYP2D6ALOX15
SCHEMBL796241 0.79 TLR9 (0.43) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL796302 0.75 LMNA (0.41) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL796395 0.75 NPC1 (0.48) ALDH1A1TSHRSMN1; SMN2MAPK1MEN1
SCHEMBL17219958 0.74 HSD11B1 (0.41) ALDH1A1TSHRSMN1; 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 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 ALDH1A1 439/4885TSHR 1712/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885TSHR 1712/4885SMN1; SMN2 1684/4885

“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.