SCHEMBL6478664

SCHEMBL6478664

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.70
BRAF P15056 10/20 0.70
KCNH2 Q12809 1/20 0.57
EPHX2 P34913 2/20 0.57
ABL1 P00519 3/20 0.56
NTRK2 Q16620 3/20 0.56
NTRK1 P04629 2/20 0.56
TEK Q02763 2/20 0.56
CXCR2 P25025 1/20 0.55
CSF1R P07333 5/20 0.55
PDGFRB P09619 2/20 0.55
KIT P10721 2/20 0.55
PDGFRA P16234 2/20 0.55
FLT3 P36888 2/20 0.55
KDR P35968 3/20 0.53
DYRK1A Q13627 1/20 0.52
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
MAPK13 O15264 2/20 0.51
MAP4K4 O95819 2/20 0.51

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
SCHEMBL6473711 0.89 RAF1 (0.60) RAF1BRAFKCNH2EPHX2ABL1
SCHEMBL6384891 0.87 RAF1 (0.78) RAF1BRAFKCNH2EPHX2ABL1
SCHEMBL6387397 0.86 RAF1 (0.79) RAF1BRAFKCNH2EPHX2ABL1
SCHEMBL6382351 0.86 RAF1 (0.74) RAF1BRAFKCNH2EPHX2ABL1
SCHEMBL6384087 0.84 RAF1 (0.77) RAF1BRAFKCNH2EPHX2ABL1
SCHEMBL27094626 0.81 CXCR2 (0.69) CXCR2DYRK1AMEN1KMT2A
SCHEMBL6295875 0.80 CXCR2 (0.79) CXCR2DYRK1AMEN1KMT2A
SCHEMBL13648145 0.79 KDR (0.61) RAF1BRAFEPHX2ABL1NTRK2
SCHEMBL257980 0.79 RAF1 (0.82) RAF1BRAFEPHX2ABL1NTRK2
SCHEMBL27093075 0.78 CXCR2 (0.72) CXCR2DYRK1AMEN1KMT2A

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 3 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

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 1822/4885BRAF 501/4885KCNH2 4661/4885

“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.