Sugi Predict

Sugi Predict / Compounds / SCHEMBL1717399

SCHEMBL1717399

SCHEMBL1717399

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c(=O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ RECQL P46063 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ NTRK1 P04629 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ MET P08581 1/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ LTK P29376 1/20 0.57
▸ GRK5 P34947 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ CDK7 P50613 1/20 0.57
▸ CDK9 P50750 1/20 0.57

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
SCHEMBL1717720 0.92 RECQL (0.67) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1717547 0.90 RECQL (0.55) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1717101 0.90 RECQL (0.55) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1717571 0.89 MAPT (0.58) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1718672 0.86 MEN1 (0.62) ALDH1A1RECQLCHEK1AURKANTRK1
SCHEMBL1717043 0.86 MEN1 (0.56) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1717020 0.86 MEN1 (0.62) ALDH1A1RECQLCHEK1AURKANTRK1
SCHEMBL1718089 0.83 MEN1 (0.55) ALDH1A1KDM4ERECQLCHEK1AURKA
SCHEMBL1717029 0.82 NPSR1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1717712 0.82 MEN1 (0.54) ALDH1A1KDM4ERECQLCHEK1AURKA

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-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 — — US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 — — US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 — — US disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 — — EP disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 — — EP disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 — — US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 — — US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 — — US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 — — 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 (1 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 ALDH1A1 2304/4885KDM4E 3176/4885RECQL 1751/4885

“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.