SCHEMBL618863

SCHEMBL618863

Cc1nc2ncccc2cc1C(=O)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 1/20 0.52
KLK1 P06870 9/20 0.49
KLKB1 P03952 9/20 0.49
KDM4E B2RXH2 1/20 0.48
SUCNR1 Q9BXA5 1/20 0.48
ATM Q13315 1/20 0.47
ROCK2 O75116 1/20 0.46
GRK2 P25098 1/20 0.46

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
SCHEMBL619639 0.84 HTT (0.56) NPC1RAB9AHPGDKLK1KLKB1
SCHEMBL10278163 0.84 EGLN1 (0.57) HPGDKDM4EATM
SCHEMBL249835 0.83 RAB9A (0.59) NPC1RAB9AHPGDKDM4EATM
SCHEMBL249932 0.82 HPGD (0.58) NPC1RAB9AHPGDKDM4E
SCHEMBL619376 0.82 LIPG (0.49) KLK1KLKB1KDM4ESUCNR1
SCHEMBL619610 0.80 HTT (0.48) NPC1RAB9AHPGDKDM4ESUCNR1
SCHEMBL619210 0.80 HSD17B10 (0.50) NPC1RAB9AHPGDKDM4E
SCHEMBL619854 0.79 HTT (0.52) HPGDKLK1KLKB1SUCNR1ROCK2
SCHEMBL617373 0.79 ALDH1A1 (0.48) NPC1RAB9AHPGDKLK1KLKB1
SCHEMBL620170 0.78 KLK1 (0.51) HPGDKLK1KLKB1SUCNR1ROCK2

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 NPC1 1797/4885RAB9A 2438/4885HPGD 151/4885

“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.