SCHEMBL4523489

SCHEMBL4523489

NC(c1ccccc1)c1nncs1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C1 P04150 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL20777738 0.78 HTR2A (0.52) ALDH1A1CYP2C9CYP2C19HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL20773647 0.77 TAAR1 (0.50) ALDH1A1CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL8432353 0.69 CTSA (0.46) DPP4F2
Aminodiphenylmethane SCHEMBL7841 0.68 DPP4 (0.65) DPP4F2TAAR1
SCHEMBL20773230 0.67 HTT (0.44) ALDH1A1CYP2C9CYP2C19HTTSMN1; SMN2
Aminodiphenylmethane SCHEMBL1764753 0.66 DPP4 (0.61) DPP4F2ALDH1A1TAAR1
Aminodiphenylmethane SCHEMBL8686295 0.66 DPP4 (0.61) DPP4F2TAAR1
Aminodiphenylmethane SCHEMBL8518249 0.66 DPP4 (0.61) DPP4F2TAAR1
Aminodiphenylmethane SCHEMBL6970159 0.66 DPP4 (0.61) DPP4F2TAAR1
Aminodiphenylmethane SCHEMBL9596876 0.66 DPP4 (0.61) DPP4F2TAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP claimed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 WO claimed
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 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-20090054445-A1 Amide Substituted Quinolines RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 DPP4 2245/4885F2 557/4885ALDH1A1 903/4885

“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.