SCHEMBL249837

SCHEMBL249837

N#Cc1ccc(-c2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.54
CYP11B1 P15538 5/20 0.54
CYP17A1 P05093 1/20 0.54
CYP3A4 P08684 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP19A1 P11511 2/20 0.50
S1PR1 P21453 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CFTR P13569 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
NEK1 Q96PY6 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
ERN1 O75460 1/20 0.44
FLT3 P36888 2/20 0.44
AR P10275 2/20 0.43

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
SCHEMBL2371259 0.82 AR (0.47) S1PR1TRPV4AR
SCHEMBL16429064 0.80 CYP11B2 (0.62) CYP11B2CYP11B1CYP17A1CYP19A1NEK1
SCHEMBL14832293 0.79 CYP11B1 (0.56) CYP11B2CYP11B1CYP17A1CYP3A4CYP19A1
SCHEMBL17672524 0.78 AR (0.45) CYP11B2CYP11B1CYP17A1CYP3A4CYP3A5
SCHEMBL28668535 0.78 KIF11 (0.57) CYP11B2TRPV4AR
SCHEMBL1927394 0.78 GLA (0.58) CYP11B2CYP11B1CYP17A1CYP3A4CYP19A1
SCHEMBL22636969 0.78 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1NEK1
SCHEMBL7604551 0.78 TRPV4 (0.56) TRPV4AR
SCHEMBL13426665 0.76 KCNH2 (0.45) CYP11B2CYP11B1CYP17A1CYP3A4CYP19A1
SCHEMBL17672897 0.76 CYP11B2 (0.60) CYP11B2CYP11B1CYP17A1CYP3A4CYP19A1

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 9 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-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 CYP11B2 72/4885CYP11B1 96/4885CYP17A1 683/4885

“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.