SCHEMBL6473501

SCHEMBL6473501

COc1cc(NC(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)ccc1Oc1ccnc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.43
SCN10A Q9Y5Y9 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
KDR P35968 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BRAF P15056 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MET P08581 1/20 0.39
LMNA P02545 1/20 0.39
PDGFRA P16234 3/20 0.39

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
SCHEMBL6472645 0.89 RAF1 (0.50) RAF1MAPTKDRMEN1KMT2A
SCHEMBL3413359 0.86 RAF1 (0.48) RAF1KDRBRAFKIT
SCHEMBL13363798 0.86 KDR (0.45) MAPTKDRBRAFPDGFRAKIT
SCHEMBL6481149 0.85 RAF1 (0.42) RAF1KDRBRAFMETPDGFRA
SCHEMBL6473395 0.84 RAF1 (0.46) RAF1KDRMEN1KMT2ABRAF
SCHEMBL6480092 0.83 RAF1 (0.47) RAF1KDRMEN1KMT2ABRAF
SCHEMBL6384422 0.83 KDR (0.48) RAF1KDRBRAFPDGFRAKIT
SCHEMBL6382319 0.83 KDR (0.48) RAF1KDRBRAFPDGFRAKIT
SCHEMBL6383503 0.83 RAF1 (0.53) RAF1KDRMEN1KMT2ABRAF
SCHEMBL3411101 0.82 RAF1 (0.49) RAF1KDRMEN1KMT2ABRAF

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 claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US claimed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 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 (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 RAF1 1822/4885SCN10A 4591/4885KDM4E 1335/4885

“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.