SCHEMBL617373

SCHEMBL617373

Cc1nc2ncccc2cc1C(=O)NCc1cc(-c2ccccc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SUCNR1 Q9BXA5 3/20 0.48
HSD17B10 Q99714 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
ROCK2 O75116 1/20 0.43
PRKCA P17252 1/20 0.43
GRK2 P25098 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NOTUM Q6P988 1/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL619210 0.83 HSD17B10 (0.50) ALDH1A1LMNAMAPTPOLBHSD17B10
SCHEMBL619639 0.81 HTT (0.56) ALDH1A1LMNARXFP1SUCNR1KLKB1
SCHEMBL619610 0.81 HTT (0.48) ALDH1A1LMNARXFP1SUCNR1SMN1; SMN2
SCHEMBL10278163 0.81 EGLN1 (0.57) ALDH1A1LMNAMAPTPOLBHSD17B10
SCHEMBL619376 0.79 LIPG (0.49) ALDH1A1LMNARXFP1SUCNR1KLKB1
SCHEMBL20810071 0.79 SMN1; SMN2 (0.59) ALDH1A1LMNAMAPTPOLBRXFP1
SCHEMBL618863 0.79 NPC1 (0.56) SUCNR1KLKB1KLK1ROCK2GRK2
SCHEMBL249932 0.77 HPGD (0.58) ALDH1A1LMNAMAPTHSD17B10SMN1; SMN2
SCHEMBL20810191 0.77 NPC1 (0.57) ALDH1A1LMNAMAPTPOLBRXFP1
SCHEMBL6404369 0.76 SMN1; SMN2 (0.56) ALDH1A1LMNAMAPTPOLBROCK2

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 ALDH1A1 468/4885LMNA 4429/4885MAPT 4262/4885

“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.