SCHEMBL250787

SCHEMBL250787

Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDR P35968 1/20 0.46
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
HPGD P15428 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CCR5 P51681 1/20 0.41
EGLN1 Q9GZT9 3/20 0.41
PDE2A O00408 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH2 P05091 1/20 0.40
MAPT P10636 1/20 0.40
MERTK Q12866 2/20 0.39

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
SCHEMBL619249 0.99 HTT (0.48) HTTSMN1; SMN2KDRAKT1AKT2
SCHEMBL617662 0.90 HTT (0.46) HTTSMN1; SMN2HPGDEGLN1PDE2A
SCHEMBL617491 0.90 HTT (0.46) HTTSMN1; SMN2HPGDEGLN1PDE2A
SCHEMBL619263 0.89 HTT (0.45) HTTSMN1; SMN2HPGDEGLN1PDE2A
SCHEMBL14845778 0.88 HTT (0.44) HTTSMN1; SMN2AKT1AKT2HPGD
SCHEMBL619626 0.86 MAPK1 (0.45) HTTSMN1; SMN2HPGDEGLN1PDE2A
SCHEMBL10278373 0.85 HTT (0.41) HTTSMN1; SMN2AKT1AKT2HPGD
SCHEMBL619847 0.84 EGLN1 (0.46) HTTSMN1; SMN2HPGDEGLN1MAPT
SCHEMBL10278163 0.83 EGLN1 (0.57) HTTSMN1; SMN2HPGDEGLN1MAPT
SCHEMBL616709 0.82 SMN1; SMN2 (0.54) HTTSMN1; SMN2HPGDEGLN1MAPT

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 13 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
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

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 HTT 4219/4885SMN1; SMN2 4137/4885KDR 4639/4885

“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.