SCHEMBL253733

SCHEMBL253733

Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
SCD O00767 3/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT2B Q92831 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
EPHX2 P34913 1/20 0.38
CNR2 P34972 1/20 0.38
S1PR3 Q99500 1/20 0.38
CXCR3 P49682 1/20 0.38
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.37
PDE4B Q07343 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
RIPK1 Q13546 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL253124 0.85 STAMBP (0.44) SYKSCDEPHX2
SCHEMBL13186819 0.84 SYK (0.43) SYKSCDCXCR3PDE4B
SCHEMBL619554 0.82 HTT (0.43) HTTSMN1; SMN2LMNASUCNR1
SCHEMBL616887 0.81 CSF1R (0.47) HTTSMN1; SMN2PDE4B
SCHEMBL10232885 0.81 SMN1; SMN2 (0.48) HTTSMN1; SMN2LMNASUCNR1
SCHEMBL617214 0.80 SMN1; SMN2 (0.43) SYKHTTSMN1; SMN2LMNASUCNR1
SCHEMBL619180 0.80 HCRTR1 (0.44) SYKHTTSMN1; SMN2LMNA
SCHEMBL253123 0.80 SYK (0.42) SYKSCDCXCR3
SCHEMBL620104 0.79 NR3C1 (0.54) HTTSMN1; SMN2P2RX7LMNASUCNR1
SCHEMBL617662 0.79 HTT (0.46) HTTSMN1; SMN2

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
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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP 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 SYK 3156/4885SCD 2675/4885HTT 4219/4885

“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.