SCHEMBL4873824

SCHEMBL4873824

Cc1nc2c(N)ncnc2n1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.56
EPHA3 P29320 1/20 0.56
KDR P35968 12/20 0.54
AURKA O14965 5/20 0.54
AURKB Q96GD4 5/20 0.54
KIT P10721 5/20 0.54
TEK Q02763 3/20 0.54
CDK19 Q9BWU1 1/20 0.54
MAPK14 Q16539 3/20 0.53
TNNI3K Q59H18 3/20 0.53
BRAF P15056 2/20 0.53
FLT1 P17948 6/20 0.51
LCK P06239 4/20 0.51
LYN P07948 4/20 0.51
FLT4 P35916 4/20 0.51
FLT3 P36888 4/20 0.51
BLK P51451 4/20 0.51
NTRK1 P04629 3/20 0.51
FGFR1 P11362 3/20 0.51
EPHA2 P29317 3/20 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
SCHEMBL3534336 0.85 PTK2 (0.61) EPHB4KITMAPK14BRAFPTK2
SCHEMBL4877521 0.84 PI4KA (0.45) EPHB4EPHA3KDRAURKAAURKB
SCHEMBL4868939 0.83 KDR (0.61) EPHB4EPHA3KDRAURKAAURKB
SCHEMBL3532285 0.81 PTK2 (0.67) EPHB4MAPK14BRAFNTRK1NTRK2
SCHEMBL4873848 0.78 PI4KA (0.48) KDRAURKAAURKBKITTEK
SCHEMBL3834274 0.77 KDR (0.57) EPHB4EPHA3KDRAURKAAURKB
SCHEMBL3528532 0.76 PTK2 (0.65) EPHB4KITMAPK14PTK2ABL1
SCHEMBL3530565 0.76 PTK2 (0.67) EPHB4MAPK14PTK2MAPK13MAPK12
SCHEMBL3536548 0.75 PTK2 (0.74) EPHB4MAPK14PTK2MAPK13MAPK12
SCHEMBL13193104 0.75 CSF1R (0.69) KDRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 US claimed

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-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity TIE1, FLT1, RET EPHB4 176/4885EPHA3 173/4885KDR 5/4885

“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.