SCHEMBL4875472

SCHEMBL4875472

Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
PTK2B Q14289 1/20 0.56
PI4KA P42356 6/20 0.48
PI4K2B Q8TCG2 6/20 0.48
PI4K2A Q9BTU6 6/20 0.48
PI4KB Q9UBF8 6/20 0.48
KDR P35968 5/20 0.45
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
EGFR P00533 2/20 0.45
DOT1L Q8TEK3 1/20 0.43
FLT1 P17948 5/20 0.42
RIPK1 Q13546 4/20 0.42
CSF1R P07333 4/20 0.42
TEK Q02763 3/20 0.42
IDH2 P48735 1/20 0.42
KIT P10721 3/20 0.42
FLT3 P36888 3/20 0.42
FLT4 P35916 3/20 0.42
ABL1 P00519 2/20 0.42

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
SCHEMBL14191791 0.87 PTK2 (0.60) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL4868939 0.86 KDR (0.61) PTK2PTK2BKDRAURKAAURKB
Hydrochloric Acid SCHEMBL5111052 0.86 PTK2 (0.59) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL4877885 0.84 RET (0.59) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL14191792 0.83 FLT1 (0.59) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL5119312 0.83 PTK2 (0.56) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL3236450 0.82 RET (0.44) PTK2PTK2BKDRAURKAAURKB
Hydrochloric Acid SCHEMBL5109755 0.82 FLT1 (0.59) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL5105069 0.82 RIPK1 (0.58) PTK2PTK2BPI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL5106721 0.81 RIPK1 (0.57) PTK2PTK2BPI4KAPI4K2BPI4K2A

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 PTK2 869/4885PTK2B 68/4885PI4KA 457/4885

“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.