SCHEMBL15051645

SCHEMBL15051645

CC(=O)Nc1cc(-n2cc(Br)c(-c3ccccc3Cl)n2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
ABL1 P00519 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PTK2 Q05397 1/20 0.36
SCN9A Q15858 1/20 0.35
DHODH Q02127 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK7 P50613 1/20 0.35
TYRO3 Q06418 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL15051710 0.88 SCN9A (0.40) PIK3C3ABL1TDP1SMN1; SMN2JAK2
SCHEMBL15051599 0.87 DHODH (0.43) PIK3C3ABL1TDP1SMN1; SMN2JAK2
SCHEMBL15051293 0.85 MAPT (0.40) PIK3C3ABL1TDP1SMN1; SMN2DHODH
SCHEMBL15050941 0.83 SMN1; SMN2 (0.36) PIK3C3ABL1TDP1SMN1; SMN2JAK2
SCHEMBL15050840 0.83 ABL1 (0.36) PIK3C3ABL1TDP1SMN1; SMN2PTK2
SCHEMBL15050908 0.82 ADORA2A (0.42) PIK3C3ABL1JAK1TYK2
SCHEMBL15050904 0.82 SMN1; SMN2 (0.35) PIK3C3ABL1TDP1SMN1; SMN2JAK2
SCHEMBL15050937 0.80 SCN9A (0.39) ABL1TDP1JAK2JAK1TYK2
SCHEMBL15058726 0.79 SCN9A (0.39) SCN9ADHODHGPBAR1
SCHEMBL15072353 0.79 ABL1 (0.34) ABL1TDP1SMN1; SMN2JAK2JAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
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
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US 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 PIK3C3 73/4885ABL1 801/4885TDP1 2702/4885

“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.