SCHEMBL15076994

SCHEMBL15076994

CC(=O)Nc1cc(-n2cc(-c3ccccc3Cl)c(C(N)=O)n2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
PIK3C3 Q8NEB9 6/20 0.40
SCN9A Q15858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 1/20 0.37
NR3C2 P08235 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NTRK1 P04629 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL15051183 0.85 JAK2 (0.43) JAK2JAK1TYK2PIK3C3SCN9A
SCHEMBL15050714 0.84 IKBKB (0.39) JAK2SCN9AHSD17B10
SCHEMBL15051918 0.80 TYK2 (0.47) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051479 0.80 JAK2 (0.44) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15076971 0.79 JAK2 (0.39) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051260 0.79 JAK2 (0.39) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051591 0.79 JAK2 (0.41) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051058 0.79 JAK2 (0.41) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051073 0.78 JAK2 (0.40) JAK2JAK1TYK2PIK3C3SMN1; SMN2
SCHEMBL15051059 0.78 JAK2 (0.40) JAK2JAK1TYK2PIK3C3SMN1; SMN2

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
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 JAK2 338/4885JAK1 920/4885TYK2 2864/4885

“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.