SCHEMBL795338

SCHEMBL795338

Cc1cccc(N(C)c2nc(N)nc(C(N)=NO)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
RAB9A P51151 1/20 0.35
CSF1R P07333 3/20 0.34
EGFR P00533 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL17220076 0.86 HTR3E (0.42) SIGMAR1TSHRTP53ALOX15CSF1R
SCHEMBL17220383 0.86 TP53 (0.38) TSHRTP53ALOX15F2F10
SCHEMBL795288 0.85 TSHR (0.48) TSHRTP53ALOX15SMN1; SMN2RAB9A
SCHEMBL796712 0.85 TSHR (0.48) TSHRTP53ALOX15SMN1; SMN2RAB9A
SCHEMBL17220376 0.84 MTNR1A (0.39) TSHRTP53ALOX15DYRK1ADHFR
SCHEMBL17220237 0.84 DHFR (0.39) TSHRTP53ALOX15DHFR
SCHEMBL17220346 0.83 RXRA (0.36) TSHRTP53ALOX15SMN1; SMN2CSF1R
SCHEMBL795337 0.79 SMN1; SMN2 (0.38) SIGMAR1TSHRSMN1; SMN2CLK1CLK2
SCHEMBL17220330 0.78 TP53 (0.36) TSHRTP53ALOX15RAB9ARXRA
SCHEMBL17220073 0.78 TP53 (0.36) TSHRTP53ALOX15DHFR

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 SIGMAR1 44/4885TSHR 1712/4885TP53 4729/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SIGMAR1 44/4885TSHR 1712/4885TP53 4729/4885

“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.