SCHEMBL2453241

SCHEMBL2453241

Cc1c(C(=O)O)c2cnccc2c(=O)n1NCCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 7/20 0.33
KDM5A P29375 1/20 0.33
KAT2B Q92831 2/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM6B O15054 2/20 0.31
KDM4C Q9H3R0 2/20 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
SCHEMBL2370210 0.94 LATS1 (0.33) LATS1KDM5AKAT2BTLR8KDM6B
SCHEMBL2369636 0.84 KDM5A (0.39) LATS1KDM5AHPGDHSD17B10
SCHEMBL14562492 0.82 KDM4C (0.44) KDM5AKAT2BKDM6BKDM4CBRD4
SCHEMBL2370142 0.81 CALCA (0.36) KAT2BTLR8KDM6BKDM4CBRD4
SCHEMBL14562434 0.80 KDM5A (0.40) KDM5AKAT2BKDM6BKDM4CBRD4
SCHEMBL14562442 0.76 KDM5A (0.40) KDM5AKAT2BKDM6BKDM4CBRD4
SCHEMBL2453838 0.74 KDM4E (0.38) KAT2BTLR8BRD4HPGD
SCHEMBL2453240 0.72 KDM5A (0.34) KDM5AKAT2BCYP3A4BRD4DHODH
SCHEMBL2833404 0.71 MEN1 (0.33) KAT2BTLR8CYP3A4CYP2C19
SCHEMBL2370205 0.71 TDP1 (0.34) LATS1KDM5AHPGDHSD17B10

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 2 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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 US 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 LATS1 3046/4885KDM5A 707/4885KAT2B 2386/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 LATS1 3046/4885KDM5A 707/4885KAT2B 2386/4885

“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.