Sugi Predict

Sugi Predict / Compounds / SCHEMBL6832985

SCHEMBL6832985

SCHEMBL6832985

Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(Cl)c4)c3)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 18/20 0.78
▸ CDC7 O00311 2/20 0.66
▸ PLK4 O00444 2/20 0.66
▸ CHEK1 O14757 2/20 0.66
▸ AURKA O14965 2/20 0.66
▸ DCLK1 O15075 2/20 0.66
▸ MAPK13 O15264 2/20 0.66
▸ PDPK1 O15530 2/20 0.66
▸ DAPK3 O43293 2/20 0.66
▸ DYRK3 O43781 2/20 0.66
▸ RPS6KA5 O75582 2/20 0.66
▸ PRKD3 O94806 2/20 0.66
▸ PAK4 O96013 2/20 0.66
▸ CHEK2 O96017 2/20 0.66
▸ PRKCG P05129 2/20 0.66
▸ INSR P06213 2/20 0.66
▸ CDK1 P06493 2/20 0.66
▸ FES P07332 2/20 0.66
▸ RET P07949 2/20 0.66
▸ ROS1 P08922 2/20 0.66

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
SCHEMBL6849777 0.93 AKT1 (0.78) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6854927 0.92 AKT1 (0.68) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6855207 0.92 AKT1 (0.77) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6833652 0.91 AKT1 (0.77) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6849780 0.90 AKT1 (0.76) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6855432 0.90 AKT1 (0.76) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6854654 0.89 AKT1 (0.77) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL7109791 0.89 AKT1 (0.77) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6855137 0.89 AKT1 (0.68) AKT1CDC7PLK4CHEK1AURKA
SCHEMBL6855487 0.89 AKT1 (0.77) AKT1CDC7PLK4CHEK1AURKA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US claimed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 — — EP claimed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US claimed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — US claimed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 — — WO claimed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDC7 76/4885PLK4 304/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDC7 76/4885PLK4 304/4885

“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.