SCHEMBL2464049

SCHEMBL2464049

COc1nnc(OC)c2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
CLK2 P49760 1/20 0.51
IRAK1 P51617 1/20 0.51
NEK4 P51957 1/20 0.51
MAP4K2 Q12851 1/20 0.51
HIPK4 Q8NE63 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51
STK17A Q9UEE5 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
GRM5 P41594 1/20 0.48
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BTK Q06187 5/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL2462314 0.94 KDR (0.48) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL2462165 0.94 KDR (0.48) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL2459569 0.81 ALOX15 (0.48) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL28994210 0.80 BTK (0.57) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL17892572 0.78 CYP1A2 (0.61) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL30643210 0.78 CYP1A2 (0.61) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL16835195 0.78 MAPT (0.48) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL17312015 0.78 MAPT (0.48) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL12859107 0.77 ABL1 (0.56) GRM5ALOX15TSHRCASP1NPSR1
SCHEMBL16604279 0.77 SORT1 (0.60) GRM5ALOX15TSHRCASP1NPSR1

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-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KDR 1539/4885CLK2 440/4885IRAK1 967/4885

“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.