SCHEMBL796423

SCHEMBL796423

N#Cc1nc(N)nc(N(CC2CC2)c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CTSK P43235 1/20 0.41
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
DHFR P00374 2/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FGFR4 P22455 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
SCHEMBL796235 0.81 MAPT (0.81) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL13363710 0.76 MAPT (1.00) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL796138 0.76 MAPT (0.59) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL17220216 0.75 MAPT (0.69) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL17220364 0.74 TSHR (0.45) MAPTLMNATSHRSMN1; SMN2NPC1
SCHEMBL796039 0.74 MAPT (0.72) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL17220363 0.73 MAPT (0.33) MAPTNPC1JAK2RAB9ADHFR
SCHEMBL17220372 0.70 MAPT (0.67) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL5842151 0.68 ALDH1A1 (0.50) MAPTTSHRFGFR1FGFR2FGFR3
SCHEMBL795407 0.68 MAPT (0.58) MAPTLMNATSHRSMN1; SMN2CRHBP

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 7 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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 MAPT 2602/4885LMNA 4798/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885LMNA 4798/4885TSHR 1712/4885

“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.