Sugi Predict

Sugi Predict / Compounds / SCHEMBL2370137

SCHEMBL2370137

SCHEMBL2370137

CCN(C(=O)OC(C)(C)C)n1c(C)c(C(=O)O)c2ncccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DTYMK P23919 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL2453835 0.90 KDM4E (0.38) KDM4ESMN1; SMN2BRD4POLBMAPT
SCHEMBL2453240 0.80 KDM5A (0.34) KDM4ESMN1; SMN2BRD4MAPTALDH1A1
SCHEMBL22195274 0.78 MEN1 (0.35) KDM4EBRD4ALDH1A1HTTPTGER4
SCHEMBL6857665 0.73 NAMPT (0.34) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL2370142 0.73 CALCA (0.36) KDM4ESMN1; SMN2BRD4POLBMAPT
SCHEMBL2370205 0.73 TDP1 (0.34) KDM4ESMN1; SMN2POLBMAPTALDH1A1
SCHEMBL2381471 0.71 NAMPT (0.33) —
SCHEMBL14563442 0.70 KDM4E (0.40) KDM4ESMN1; SMN2POLBMAPTALDH1A1
SCHEMBL2369631 0.65 KDM5A (0.40) KDM4ESMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6857387 0.65 KDM4E (0.34) KDM4ESMN1; SMN2MAPTALDH1A1LMNA

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 KDM4E 1390/4885SMN1; SMN2 3378/4885BRD4 1018/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 KDM4E 1390/4885SMN1; SMN2 3378/4885BRD4 1018/4885

“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.