SCHEMBL2759564

SCHEMBL2759564

C=C(C)C(=O)Nc1cc(Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GSK3A P49840 1/20 0.46
MAPK10 P53779 1/20 0.46
RIOK2 Q9BVS4 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FGFR4 P22455 1/20 0.44
GRM5 P41594 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29728783 0.83 JAK2 (0.56) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL1122640 0.83 JAK2 (0.56) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL19054940 0.83 MAPT (0.43) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL14294323 0.82 NPC1 (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11964359 0.82 NPC1 (0.43) MAPTJAK2JAK1TYK2JAK3
SCHEMBL2762187 0.78 MAPT (0.55) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL16926556 0.77 JAK2 (0.58) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL1437559 0.76 NR3C2 (0.54) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL2759458 0.75 EGFR (0.42) MAPTFGFR4JAK2JAK1TYK2
SCHEMBL22408359 0.75 FGFR4 (0.57) MAPTGSK3AMAPK10RIOK2NPSR1

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-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA MAPT 2154/4885GSK3A 405/4885MAPK10 1351/4885

“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.