SCHEMBL250179

SCHEMBL250179

N#Cc1ccc(C2=CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.46
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
KIF11 P52732 2/20 0.37
PDK2 Q15119 1/20 0.34
NSD2 O96028 1/20 0.34
CSF1R P07333 2/20 0.33
CYP2C9 P11712 1/20 0.33
HTR6 P50406 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
PSMB5 P28074 1/20 0.33
CETP P11597 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL16762060 0.81 CYP11B2 (0.46) PDE3BPDE3AHTR6CYP11B1CYP11B2
SCHEMBL250220 0.78 AR (0.44) ARPDE3BPDE3ATRPV4KIF11
SCHEMBL15156704 0.78 PSMB5 (0.50) PDE3BPDE3APSMB5CETP
SCHEMBL30783242 0.78 CYP11B2 (0.46) ARCSF1RHTR6CYP11B1CYP11B2
SCHEMBL31395110 0.78 PDE3B (0.44) ARPDE3BPDE3AKIF11PSMB5
SCHEMBL23361671 0.78 EGLN2 (0.40) CSF1RHTR6PSMB5CYP19A1
SCHEMBL29826032 0.78 EGLN2 (0.40) CSF1RHTR6PSMB5CYP19A1
SCHEMBL7604551 0.78 TRPV4 (0.56) ARTRPV4KIF11PDK2NSD2
Hydrochloric Acid SCHEMBL249748 0.75 PDE3B (0.43) PDE3BPDE3ANSD2PSMB5CETP
SCHEMBL10232859 0.75 PDE3B (0.43) PDE3BPDE3ANSD2PSMB5CETP

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 2792/4885PDE3B 4/4885PDE3A 6/4885

“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.