SCHEMBL1491091

SCHEMBL1491091

COc1ccc(Cn2nccc2N)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
OPRK1 P41145 2/20 0.47
CYP1A2 P05177 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRD1 P41143 1/20 0.47
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 4/20 0.44
AOC3 Q16853 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
DHFR P00374 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11651609 0.87 KDM4E (0.45) KDM4ESMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL1491062 0.85 MEN1 (0.49) KDM4ETSHRLMNAKMT2AALDH1A1
SCHEMBL1491073 0.79 KDM4E (0.46) KDM4ESMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1491059 0.79 NPBWR1 (0.48) CYP1A2KDM4ETSHRLMNAKMT2A
SCHEMBL1491082 0.78 APLNR (0.50) KDM4ESMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1491095 0.78 KDM4E (0.53) KDM4EKMT2AALDH1A1PKMMEN1
SCHEMBL1493412 0.77 KDM4E (0.42) KDM4EALDH1A1PKM
SCHEMBL1491063 0.75 MAPT (0.44) KDM4ESMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL28863558 0.75 KDM4E (0.43) KDM4EKMT2AALDH1A1PKMDHFR
SCHEMBL1491108 0.75 LMNA (0.55) KDM4EAOC3SMN1; SMN2TSHRLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152208-B1 PYRIMIDO[4,5-B]QUINOLINE-4,5(3H,10H)-DIONE DERIVATIVES AS SUPPRESSORS OF NON-SENS MUTATIONS NOVARTIS AG (CH) 2019-05-08 EP disclosed
EP-3152208-B1 PYRIMIDO[4,5-B]QUINOLINE-4,5(3H,10H)-DIONE DERIVATIVES AS SUPPRESSORS OF NON-SENS MUTATIONS NOVARTIS AG (CH) 2019-05-08 EP disclosed
US-9896448-B2 Pyrimido[4,5-b]quinoline-4,5(3H, 10H)-dione derivatives NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9896448-B2 Pyrimido[4,5-b]quinoline-4,5(3H, 10H)-dione derivatives NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9896448-B2 Pyrimido[4,5-b]quinoline-4,5(3H, 10H)-dione derivatives NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170183341-A1 Pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione derivatives NOVARTIS AG (CH) 2017-06-29 US disclosed
US-20170183341-A1 Pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione derivatives NOVARTIS AG (CH) 2017-06-29 US disclosed
US-20170183341-A1 Pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione derivatives NOVARTIS AG (CH) 2017-06-29 US disclosed
EP-3152208-A1 PYRIMIDO[4,5-b]QUINOLINE-4,5(3H,10H)-DIONE DERIVATIVES Novartis AG (CH) 2017-04-12 EP disclosed
WO-2015186062-A1 PYRIMIDO[4,5-b]QUINOLINE-4,5(3H,10H)-DIONE DERIVATIVES NOVARTIS AG (CH) 2015-12-10 WO disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20170183341-A1 Pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione derivatives QDPR, IL5, CYP3A5 CHRM2 1886/4885OPRK1 250/4885CYP1A2 97/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CHRM2 230/4885OPRK1 82/4885CYP1A2 1066/4885

“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.