SCHEMBL249835

SCHEMBL249835

Cc1nc2ncccc2cc1C(=O)OCc1csc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 1/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 4/20 0.59
TSHR P16473 3/20 0.59
TP53 P04637 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
PKM P14618 2/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 7/20 0.55
MAPT P10636 7/20 0.54
MAPK1 P28482 3/20 0.53
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL249442 0.84 CYP1A2 (0.45) RAB9AKDM4EL3MBTL1GAAATM
SCHEMBL618863 0.83 NPC1 (0.56) RAB9AKDM4EATMNPC1HPGD
SCHEMBL250232 0.81 EGLN1 (0.47) RAB9AL3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL249684 0.79 EGLN1 (0.45) RAB9AL3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL250677 0.79 POLB (0.44) RAB9AKDM4EL3MBTL1GAATSHR
SCHEMBL28912380 0.77 TSHR (0.52) RAB9AKDM4EGAATSHRHSD17B10
SCHEMBL10233174 0.73 ALDH1A1 (0.49) KDM4EL3MBTL1GAATSHRTP53
SCHEMBL5297257 0.72 ALDH1A1 (0.58) RAB9AKDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL249063 0.71 PRKCA (0.50) RAB9AL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL28558680 0.71 ALOX15 (0.49) RAB9AKDM4EL3MBTL1GAASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US claimed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US claimed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO claimed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (1 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 RAB9A 2438/4885KDM4E 3377/4885L3MBTL1 3730/4885

“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.