SCHEMBL248267

SCHEMBL248267

NCc1ccc(-c2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
LOXL2 Q9Y4K0 2/20 0.51
S1PR1 P21453 2/20 0.48
CFTR P13569 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
ERN1 O75460 1/20 0.44
VHL P40337 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PDK2 Q15119 1/20 0.41
NPY5R Q15761 1/20 0.41
NSD2 O96028 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2E1 P05181 2/20 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
SCHEMBL6673882 0.82 CSNK2A1 (0.57) S1PR1NSD2S1PR3
SCHEMBL1927394 0.81 GLA (0.58) CYP2A6S1PR1CFTRPDE3BPDE3A
SCHEMBL3571285 0.80 CYP2A6 (0.62) CYP2A6LOXL2CYP11B1CYP11B2VHL
SCHEMBL14832293 0.79 CYP11B1 (0.56) CYP2A6S1PR1CFTRPDE3BPDE3A
SCHEMBL12692422 0.75 NPY5R (0.64) CYP2A6S1PR1CFTRPDE3BPDE3A
SCHEMBL10233072 0.74 S1PR1 (0.48) CYP2A6S1PR1CFTRPDE3BPDE3A
SCHEMBL249837 0.74 CYP11B2 (0.54) S1PR1CFTRPDE3BPDE3ACYP11B1
SCHEMBL16446879 0.74 CYP11B2 (0.60) S1PR1CFTRPDE3BPDE3ACYP11B1
SCHEMBL249951 0.73 CTSS (0.48) LOXL2CYP11B1CYP11B2CYP19A1
SCHEMBL29891239 0.73 CYP11B1 (0.57) S1PR1CFTRPDE3BPDE3ACYP11B1

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 11 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 disclosed
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
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 CYP2A6 776/4885LOXL2 2252/4885S1PR1 2665/4885

“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.