SCHEMBL795874

SCHEMBL795874

CN(Cc1ccccc1)c1nc(N)nc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.53
DHFR P00374 1/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
AOC3 Q16853 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL14869399 0.89 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL14869432 0.83 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL8507343 0.82 AOC3 (0.47) SMN1; SMN2RAB9ADHFRAOC3
SCHEMBL14869415 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL32688111 0.79 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMAPTLMNAALDH1A1
SCHEMBL795407 0.78 MAPT (0.58) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL8413870 0.77 HTR2B (0.57) SMN1; SMN2RAB9ADHFRLMNA
SCHEMBL795537 0.76 ALDH1A1 (0.50) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL17220070 0.75 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ADHFRMAPTLMNA
SCHEMBL9751562 0.74 PDE4A (0.43) SMN1; SMN2RAB9AMAPTALDH1A1TDP1

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 SMN1; SMN2 1684/4885RAB9A 4766/4885DHFR 1553/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885RAB9A 4766/4885DHFR 1553/4885

“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.