SCHEMBL618429

SCHEMBL618429

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NAMPT P43490 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.38
CDK2 P24941 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38

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
SCHEMBL619952 0.90 PDE5A (0.46) HTTSMN1; SMN2NAMPTTP53
SCHEMBL620177 0.86 LRRK2 (0.43) HTTSMN1; SMN2KCNH2CNR1
SCHEMBL616608 0.86 LRRK2 (0.43) HTTSMN1; SMN2KCNH2CNR1
SCHEMBL616607 0.86 LRRK2 (0.43) HTTSMN1; SMN2KCNH2CNR1
SCHEMBL620530 0.86 TRPV1 (0.48) HTTSMN1; SMN2TP53HPGD
SCHEMBL619249 0.82 HTT (0.48) HTTSMN1; SMN2KCNH2HPGDEGLN1
SCHEMBL250787 0.81 HTT (0.47) HTTSMN1; SMN2HPGDEGLN1AKT1
SCHEMBL619238 0.80 TRPV1 (0.48) HTTSMN1; SMN2KCNH2NAMPTCNR1
SCHEMBL619847 0.80 EGLN1 (0.46) HTTSMN1; SMN2HPGDEGLN1
SCHEMBL619737 0.79 HTT (0.45) HTTSMN1; SMN2KCNH2CNR1HPGD

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 HTT 4219/4885SMN1; SMN2 4137/4885ITGA4 3439/4885

“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.