SCHEMBL620104

SCHEMBL620104

Cc1nc2ncccc2cc1C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.54
P2RX7 Q99572 4/20 0.48
TRPV1 Q8NER1 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDR P35968 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
POLB P06746 1/20 0.43
SCN3A Q9NY46 1/20 0.43
PPARG P37231 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ROS1 P08922 1/20 0.42
ALK Q9UM73 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10232885 0.90 SMN1; SMN2 (0.48) NR3C1HTTSMN1; SMN2RPS6KB1POLB
SCHEMBL619617 0.87 HTT (0.45) NR3C1HTTSMN1; SMN2RPS6KB1POLB
SCHEMBL620473 0.87 PTGDR2 (0.47) NR3C1HTTSMN1; SMN2RPS6KB1POLB
SCHEMBL617600 0.85 HTT (0.54) P2RX7HTTSMN1; SMN2SUCNR1HPGD
SCHEMBL617401 0.84 HTT (0.46) NR3C1TRPV1HTTSMN1; SMN2KDR
SCHEMBL619738 0.84 HCRTR1 (0.52) NR3C1HTTSMN1; SMN2SUCNR1
SCHEMBL619554 0.84 HTT (0.43) NR3C1HTTSMN1; SMN2POLBPPARG
SCHEMBL618734 0.83 EGLN1 (0.60) HTTSMN1; SMN2POLBEGLN1LMNA
SCHEMBL619180 0.83 HCRTR1 (0.44) HTTSMN1; SMN2POLBLMNAHPGD
SCHEMBL247884 0.83 LMNA (0.52) HTTSMN1; SMN2LMNAHPGD

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 10 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
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

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 NR3C1 394/4885P2RX7 1113/4885TRPV1 248/4885

“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.