SCHEMBL2459569

SCHEMBL2459569

O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc2c(Cl)nnc(Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRM5 P41594 1/20 0.47
EPAS1 Q99814 1/20 0.45
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
KCNE1 P15382 3/20 0.45
KCNQ1 P51787 3/20 0.45
AURKA O14965 1/20 0.45
BTK Q06187 2/20 0.44
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
KDR P35968 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
NEK4 P51957 1/20 0.43

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
SCHEMBL2464049 0.81 KDR (0.51) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994195 0.80 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL2459015 0.80 MAPT (0.65) TSHRKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17892561 0.80 NPSR1 (0.49) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30643204 0.79 GRM5 (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17392022 0.78 DEGS1 (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994232 0.78 BTK (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL12859107 0.78 ABL1 (0.56) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1972210 0.78 ALOX15 (0.52) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL2462314 0.77 KDR (0.48) ALOX15TSHRCASP1NPSR1HSD17B10

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 ALOX15 3492/4885TSHR 4334/4885CASP1 2266/4885

“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.