Sugi Predict

Sugi Predict / Compounds / SCHEMBL3413359

SCHEMBL3413359

SCHEMBL3413359

NC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.48
▸ RET P07949 2/20 0.45
▸ KDR P35968 6/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL3411015 0.92 RET (0.46) RAF1RETKDRPLK4AURKA
SCHEMBL3406932 0.90 RET (0.47) RAF1RETKDRPLK4AURKA
SCHEMBL6384112 0.90 RET (0.59) RAF1RETKDRPLK4AURKA
SCHEMBL6473395 0.89 RAF1 (0.46) RAF1RETKDRPLK4AURKA
SCHEMBL6384422 0.88 KDR (0.48) RAF1RETKDRABL1EPHA2
SCHEMBL6480092 0.88 RAF1 (0.47) RAF1RETKDRPLK4AURKA
SCHEMBL6382319 0.88 KDR (0.48) RAF1RETKDRABL1EPHA2
SCHEMBL6383503 0.87 RAF1 (0.53) RAF1RETKDRPLK4AURKA
SCHEMBL6472645 0.87 RAF1 (0.50) RAF1RETKDRPLK4AURKA
SCHEMBL6389026 0.87 RAF1 (0.55) RAF1RETKDRPLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 — — US disclosed
EP-1603879-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-14 — — EP disclosed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 — — US disclosed
WO-2004078128-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 — — 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-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 RAF1 761/4885RET 605/4885KDR 135/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 RAF1 761/4885RET 605/4885KDR 135/4885

“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.