SCHEMBL379668

SCHEMBL379668

Nc1ccc(-c2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.64
MAP4K4 O95819 3/20 0.59
CYP1A2 P05177 1/20 0.59
KCNH2 Q12809 1/20 0.59
MINK1 Q8N4C8 1/20 0.59
TNIK Q9UKE5 1/20 0.59
LTA4H P09960 1/20 0.58
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
INPPL1 O15357 1/20 0.44
NPBWR1 P48145 1/20 0.44
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PIK3CG P48736 1/20 0.42
ADK P55263 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAP3K11 Q16584 1/20 0.41
NOS3 P29474 1/20 0.40

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
SCHEMBL380164 0.87 PIK3CD (0.55) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL312830 0.83 LTA4H (0.79) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL16826233 0.82 PIK3CD (0.61) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL2319381 0.82 MAP4K4 (0.68) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL1257460 0.82 PIK3CD (0.73) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL29740321 0.82 PIK3CD (0.73) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL30337416 0.79 PIK3CD (0.70) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL1033768 0.78 KDM1A (0.46) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL17027855 0.76 RPS6KA3 (0.49) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL1256207 0.76 CYP3A4 (0.63) PIK3CDMAP4K4CYP1A2KCNH2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 EP disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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 (2 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R PIK3CD 3338/4885MAP4K4 3027/4885CYP1A2 1523/4885
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R PIK3CD 2560/4885MAP4K4 1794/4885CYP1A2 3686/4885

“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.