SCHEMBL617436

SCHEMBL617436

Cc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM3 P20309 1/20 0.44
FFAR1 O14842 1/20 0.43
TACR1 P25103 2/20 0.42
CNR2 P34972 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KLKB1 P03952 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL617276 0.91 HTT (0.50) HTTSMN1; SMN2TACR1HCRTR1HCRTR2
SCHEMBL10232805 0.88 HTT (0.45) HTTSMN1; SMN2FFAR1KMT2ASUCNR1
SCHEMBL619376 0.85 LIPG (0.49) HTTSMN1; SMN2HCRTR1MEN1KMT2A
SCHEMBL619738 0.85 HCRTR1 (0.52) HTTSMN1; SMN2HCRTR1HCRTR2KMT2A
SCHEMBL247884 0.84 LMNA (0.52) HTTSMN1; SMN2CNR2MEN1KMT2A
SCHEMBL10232885 0.83 SMN1; SMN2 (0.48) HTTSMN1; SMN2HCRTR1HCRTR2POLB
SCHEMBL618421 0.83 MEN1 (0.50) HTTSMN1; SMN2CNR2MEN1KMT2A
SCHEMBL620170 0.82 KLK1 (0.51) HTTSMN1; SMN2KMT2AKLKB1CYP3A4
SCHEMBL620104 0.81 NR3C1 (0.54) HTTSMN1; SMN2POLBLMNASUCNR1
SCHEMBL10278163 0.81 EGLN1 (0.57) HTTSMN1; SMN2POLBMEN1KMT2A

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
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-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 PDPK1 2357/4885HTT 4219/4885SMN1; SMN2 4137/4885

“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.