SCHEMBL2379622

SCHEMBL2379622

Cc1cc2ccncc2c(=O)n1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.41
LATS1 O95835 5/20 0.36
AAK1 Q2M2I8 4/20 0.36
RAB9A P51151 2/20 0.36
LATS2 Q9NRM7 1/20 0.36
NAMPT P43490 1/20 0.35
CYP17A1 P05093 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K1 Q92918 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
SCHEMBL2380141 0.78 CTSL (0.37) CTSLCTSBLATS1AAK1RAB9A
SCHEMBL30601010 0.74 MAP4K1 (0.44) LATS1RAB9ANAMPTCYP17A1MAP4K1
SCHEMBL2154612 0.71 CTSL (0.38) CTSLCTSBAAK1MEN1KMT2A
SCHEMBL30600809 0.70 MAP4K1 (0.43) CTSLCTSBNAMPTCYP17A1KMT2A
SCHEMBL27141591 0.69 LATS1 (0.45) LATS1RAB9ALATS2
SCHEMBL30782353 0.69 LATS1 (0.45) LATS1RAB9ALATS2
SCHEMBL30600875 0.69 MAP4K1 (0.61) CYP17A1MAP4K1
SCHEMBL31256305 0.69 TOP2A (0.50)
SCHEMBL30752879 0.69 ELANE (0.40) NAMPT
SCHEMBL12685162 0.67 NR1H2 (0.39) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 US disclosed
EP-2545053-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2013-01-16 EP disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 US disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 WO disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, KCND3 CTSL 2264/4885CTSB 1829/4885LATS1 3046/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 CTSL 2264/4885CTSB 1829/4885LATS1 3046/4885

“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.