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SCHEMBL2380141

SCHEMBL2380141

Cc1c(Br)c2ccncc2c(=O)n1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 1/20 0.36
▸ LATS1 O95835 5/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LATS2 Q9NRM7 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ CYP17A1 P05093 2/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2379622 0.78 CTSL (0.42) CTSLCTSBLATS1RAB9ALATS2
SCHEMBL2153861 0.74 KMT2A (0.35) CTSLCTSBRAB9AAAK1NPC1
SCHEMBL2381471 0.73 NAMPT (0.33) LATS1NAMPTKDM5A
SCHEMBL2371450 0.68 CTSL (0.34) CTSLCTSBRAB9ANAMPTCYP17A1
SCHEMBL2453241 0.65 LATS1 (0.33) LATS1LATS2KDM5ACYP3A4
SCHEMBL2690803 0.65 HTT (0.46) CTSLRAB9ANAMPTLMNACYP3A4
SCHEMBL2370210 0.64 LATS1 (0.33) LATS1KDM5ACYP3A4
SCHEMBL28046768 0.64 RAB9A (0.40) CTSLCTSBLATS1RAB9ALATS2
SCHEMBL31707397 0.64 NAMPT (0.47) RAB9ANAMPTCYP17A1CYP3A4NPC1
SCHEMBL30114700 0.64 NAMPT (0.47) RAB9ANAMPTCYP17A1NPC1RECQL

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.