SCHEMBL619508

SCHEMBL619508

O=C(NCc1ccc(F)cc1)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
KMT2A Q03164 2/20 0.55
HDAC6 Q9UBN7 1/20 0.54
CNR2 P34972 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR1 P21554 1/20 0.52
LMNA P02545 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
SCHEMBL249051 0.90 CNR2 (0.54) GLAHDAC6CNR2CYP1A2CYP2C19
SCHEMBL247656 0.86 LMNA (0.54) KMT2AHDAC6CNR2CYP1A2CYP2C19
SCHEMBL619017 0.84 HTT (0.69) GLAKMT2ACYP1A2CYP2C19HTT
SCHEMBL619558 0.84 CNR2 (0.61) KMT2ACNR2CYP1A2CYP2C19CYP3A4
SCHEMBL249434 0.83 SORT1 (0.59) GLAKMT2AHTTSMN1; SMN2LMNA
SCHEMBL11909549 0.81 LMNA (0.50) GLAKMT2AHDAC6CYP1A2CYP3A4
SCHEMBL6361138 0.81 ALDH1A1 (0.47) GLAKMT2AHDAC6CYP1A2CYP2C19
SCHEMBL617600 0.79 HTT (0.54) HDAC6HTTSMN1; SMN2
SCHEMBL619841 0.77 LMNA (0.51) KMT2ACNR2CYP1A2CYP2C19CYP3A4
SCHEMBL3433408 0.76 MGLL (0.43) KMT2AHDAC6CNR2CYP1A2CYP3A4

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 12 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-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
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 GLA 1418/4885KMT2A 3409/4885HDAC6 959/4885

“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.