SCHEMBL619264

SCHEMBL619264

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 4/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
THRB P10828 1/20 0.39
PTPN11 Q06124 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PSMD14 O00487 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
SCHEMBL620530 0.86 TRPV1 (0.48) HPGDTP53TRPV1SMN1; SMN2RXFP1
SCHEMBL619238 0.80 TRPV1 (0.48) HPGDTP53TRPV1SMN1; SMN2NAMPT
SCHEMBL249932 0.79 HPGD (0.58) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL619737 0.77 HTT (0.45) HPGDTRPV1LMNASMN1; SMN2
SCHEMBL617449 0.77 HTT (0.45) HPGDTP53TRPV1SMN1; SMN2
SCHEMBL619439 0.77 PHGDH (0.50) TDP1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL619440 0.77 PHGDH (0.50) TDP1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL619784 0.76 TRPV1 (0.53) KDM4ETP53TRPV1SMN1; SMN2NAMPT
SCHEMBL618429 0.75 HTT (0.43) HPGDTP53SMN1; SMN2NAMPT
SCHEMBL619952 0.74 PDE5A (0.46) TP53SMN1; SMN2NAMPT

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 TDP1 3319/4885NPC1 1797/4885ALDH1A1 468/4885

“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.