SCHEMBL2244656

SCHEMBL2244656

Cc1cccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.58
BRAF P15056 8/20 0.54
KCNH2 Q12809 1/20 0.54
ABL1 P00519 3/20 0.52
FLT1 P17948 3/20 0.52
KDR P35968 3/20 0.52
RIPK1 Q13546 2/20 0.52
SRC P12931 2/20 0.52
SYK P43405 2/20 0.52
PLK4 O00444 1/20 0.52
ACOX3 O15254 1/20 0.52
MAP3K7 O43318 1/20 0.52
DYRK3 O43781 1/20 0.52
JAK2 O60674 1/20 0.52
ERN1 O75460 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK10 O94804 1/20 0.52
MAP4K4 O95819 1/20 0.52
RAF1 P04049 1/20 0.52
NTRK1 P04629 1/20 0.52

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
SCHEMBL2243972 0.92 BRAF (0.62) MAPK14BRAFKCNH2ABL1FLT1
SCHEMBL2241205 0.91 KCNJ6 (0.49) MAPK14BRAFKCNH2ABL1FLT1
SCHEMBL2243773 0.90 MAPK14 (0.54) MAPK14BRAFKCNH2ABL1FLT1
SCHEMBL2243621 0.89 MAPK14 (0.52) MAPK14BRAFKCNH2ABL1FLT1
SCHEMBL2243231 0.89 MAPK14 (0.56) MAPK14BRAFABL1FLT1KDR
SCHEMBL2242902 0.89 KCNJ6 (0.57) MAPK14BRAFABL1FLT1KDR
SCHEMBL2243732 0.89 MAPK14 (0.74) MAPK14BRAFKCNH2ABL1FLT1
SCHEMBL2246332 0.88 ABL1 (0.51) MAPK14BRAFABL1FLT1KDR
SCHEMBL2031430 0.88 BRAF (0.57) MAPK14BRAFABL1FLT1KDR
SCHEMBL2240549 0.87 MAPK14 (0.54) MAPK14BRAFABL1FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US claimed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP claimed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 MAPK14 3645/4885BRAF 338/4885KCNH2 4029/4885

“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.