Sugi Predict

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SCHEMBL2379964

SCHEMBL2379964

CCNn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c2ncccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ TACR3 P29371 10/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SETD2 Q9BYW2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ P4HB P07237 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34

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
SCHEMBL2370709 0.86 CYP2C9 (0.45) CYP2C9TACR3
SCHEMBL2370656 0.86 CYP2C9 (0.47) CYP2C9TACR3
SCHEMBL16566393 0.85 CYP2C9 (0.47) CYP2C9TACR3MAPK1PDE2A
SCHEMBL11917791 0.85 CYP2C9 (0.47) CYP2C9TACR3MAPK1PDE2A
SCHEMBL11917787 0.85 CYP2C9 (0.47) CYP2C9TACR3MAPK1PDE2A
SCHEMBL7942563 0.85 CYP2C9 (0.47) CYP2C9TACR3MAPK1PDE2A
SCHEMBL11917794 0.85 CYP2C9 (0.47) CYP2C9TACR3MAPK1PDE2A
SCHEMBL1978628 0.83 CYP2C9 (0.46) CYP2C9TACR3MAPK1PDE2A
SCHEMBL1979946 0.81 CYP2C9 (0.46) CYP2C9TACR3MAPK1
SCHEMBL7948901 0.81 CYP2C9 (0.50) CYP2C9TACR3PDE2A

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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US claimed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — WO claimed
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-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 CYP2C9 4124/4885TACR3 12/4885L3MBTL1 4517/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 CYP2C9 4124/4885TACR3 12/4885L3MBTL1 4517/4885

“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.