SCHEMBL6427439

SCHEMBL6427439

CNC(=O)c1cc(Oc2ccc(F)c(N)c2F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.50
▸ RAF1 P04049 4/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ BRAF P15056 5/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ P2RX3 P56373 3/20 0.47
▸ HIPK4 Q8NE63 2/20 0.47
▸ DDR2 Q16832 1/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ GCK P35557 1/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ RET P07949 1/20 0.44
▸ ROS1 P08922 1/20 0.44

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
SCHEMBL6387886 0.88 KDR (0.50) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL29130657 0.88 KDR (0.53) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL30306976 0.85 KDR (0.54) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL12355379 0.85 KDR (0.50) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL2029492 0.85 KDR (0.54) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL6478594 0.84 GCK (0.51) KDRRAF1EPHX2BRAFHIPK4
SCHEMBL6427214 0.84 KDR (0.59) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL29186383 0.83 RAF1 (0.49) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL12355376 0.83 KDR (0.50) KDRRAF1EPHX2BRAFCSF1R
SCHEMBL6426864 0.83 KDR (0.50) KDRRAF1EPHX2BRAFCSF1R

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-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 — — US disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 — — EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 — — US disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 KDR 502/4885RAF1 1822/4885EPHX2 2050/4885

“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.

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