SCHEMBL15051591

SCHEMBL15051591

CC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
PIK3C3 Q8NEB9 6/20 0.37
EPAS1 Q99814 1/20 0.37
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 3/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL15050941 0.84 SMN1; SMN2 (0.36) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051073 0.84 JAK2 (0.40) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15076971 0.83 JAK2 (0.39) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051918 0.83 TYK2 (0.47) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051058 0.83 JAK2 (0.41) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051059 0.82 JAK2 (0.40) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051559 0.82 AKT1 (0.36) SMN1; SMN2CSNK1A1TYRO3DYRK1BLMNA
SCHEMBL15051183 0.82 JAK2 (0.43) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051260 0.80 JAK2 (0.39) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15076994 0.79 JAK2 (0.43) JAK2JAK1TYK2SMN1; SMN2PIK3C3

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 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.