SCHEMBL1379400

SCHEMBL1379400

N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(C(N)=O)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.46
BRAF P15056 13/20 0.43
KIT P10721 4/20 0.43
RAF1 P04049 1/20 0.37
KIF11 P52732 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
SCHEMBL3366948 0.90 KDR (0.48) KDRBRAFKITRAF1
SCHEMBL6480092 0.90 RAF1 (0.47) KDRBRAFKITRAF1
SCHEMBL3366914 0.89 KDR (0.56) KDRBRAFKITRAF1
SCHEMBL13363759 0.89 KDR (0.53) KDRBRAFKITRAF1
SCHEMBL13363778 0.89 KDR (0.47) KDRBRAFKITRAF1
SCHEMBL13799389 0.88 KDR (0.46) KDRBRAFKITRAF1
SCHEMBL13790462 0.87 KDR (0.56) KDRBRAFKITRAF1
SCHEMBL13363801 0.87 KDR (0.45) KDRBRAFKIT
SCHEMBL3366820 0.86 KDR (0.44) KDRBRAFKITKIF11
SCHEMBL13363772 0.86 KDR (0.44) KDRBRAFKITRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658037-B2 2011-03-23 JP claimed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP claimed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US claimed
JP-2006519264-A 2006-08-24 JP claimed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP claimed
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-25 US claimed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US disclosed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US disclosed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US disclosed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-25 US disclosed
WO-2004078747-A1 NOVEL CYANOPYRIDINE 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 (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-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders VHL, HCCS, CDK4 KDR 145/4885BRAF 419/4885KIT 359/4885

“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.