SCHEMBL5899282

SCHEMBL5899282

O=C(Nc1ccc(Sc2ccncc2)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.63
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
KDR P35968 9/20 0.59
TEK Q02763 1/20 0.59
MMP1 P03956 1/20 0.58
FLT3 P36888 4/20 0.57
NTRK1 P04629 3/20 0.57
NTRK2 Q16620 3/20 0.57
ABL1 P00519 3/20 0.57
LCK P06239 3/20 0.57
FYN P06241 3/20 0.57
CSF1R P07333 3/20 0.57
LYN P07948 3/20 0.57
KIT P10721 3/20 0.57
FLT1 P17948 3/20 0.57
BLK P51451 3/20 0.57
AURKB Q96GD4 2/20 0.57

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
SCHEMBL13556580 0.87 MAPT (0.57) BRAFKDRTEKMMP1FLT3
SCHEMBL4239060 0.84 RAF1 (0.59) BRAFKDRTEKMMP1
SCHEMBL937617 0.84 KDR (0.69) BRAFCA12CA1CA2CA9
SCHEMBL21750852 0.80 CA12 (0.70) CA12CA1CA2CA9KDR
SCHEMBL4336976 0.79 KDR (0.55) BRAFCA12CA1CA2CA9
SCHEMBL13541769 0.79 CA12 (0.69) CA12CA1CA2CA9KDR
SCHEMBL4340395 0.79 CA12 (0.69) CA12CA1CA2CA9KDR
SCHEMBL5271094 0.79 KDR (0.69) CA12CA1CA2CA9KDR
SCHEMBL13556578 0.77 BRAF (0.55) BRAFKDRLCKCSF1RKIT
SCHEMBL1854632 0.77 KDR (0.55) BRAFCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 US claimed
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 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-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors TIE1, UCK2, UTS2R BRAF 34/4885CA12 3994/4885CA1 4600/4885

“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.