SCHEMBL250220

SCHEMBL250220

N#Cc1ccc(C2=CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
ELANE P08246 2/20 0.41
TRPV4 Q9HBA0 1/20 0.40
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
AAK1 Q2M2I8 1/20 0.36
IDH2 P48735 3/20 0.36
KIF11 P52732 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL2321844 0.82 CYP11B1 (0.41) ELANEPIK3CAMTORPDE3BPDE3A
SCHEMBL25382855 0.79 PIK3CA (0.40) ARPIK3CAMTORPDE3BPDE3A
SCHEMBL7604551 0.79 TRPV4 (0.56) ARTRPV4KIF11
SCHEMBL250179 0.78 AR (0.46) ARTRPV4PDE3BPDE3AKIF11
SCHEMBL10232835 0.76 AAK1 (0.38) PIK3CAMTORPDE3BPDE3AAAK1
Hydrochloric Acid SCHEMBL250186 0.76 AAK1 (0.40) PIK3CAMTORPDE3BPDE3AAAK1
SCHEMBL10232825 0.76 AAK1 (0.40) PIK3CAMTORPDE3BPDE3AAAK1
SCHEMBL19175120 0.74 AR (0.46) ARPIK3CAMTORPDE3BPDE3A
SCHEMBL14845785 0.73 IDH2 (0.38) PIK3CAMTORPDE3BPDE3AAAK1
SCHEMBL250335 0.73 FABP7 (0.40) ARPIK3CAKIF11

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 AR 2792/4885ELANE 385/4885TRPV4 564/4885

“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.