SCHEMBL15051183

SCHEMBL15051183

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.40
SCN9A Q15858 1/20 0.39
PIK3C3 Q8NEB9 4/20 0.39
EPAS1 Q99814 1/20 0.38
LMNA P02545 1/20 0.38
NTRK1 P04629 3/20 0.38
JAK3 P52333 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NR3C2 P08235 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
SCHEMBL15051918 0.92 TYK2 (0.47) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15072342 0.89 CA12 (0.40) JAK2JAK1TYK2ALDH1A1KDM4E
SCHEMBL15076994 0.85 JAK2 (0.43) JAK2JAK1TYK2SMN1; SMN2SCN9A
SCHEMBL15051624 0.84 KDM4E (0.45) JAK2ALDH1A1KDM4EPKMGALR3
SCHEMBL15050937 0.84 SCN9A (0.39) JAK2JAK1TYK2ALDH1A1KDM4E
SCHEMBL15051710 0.82 SCN9A (0.40) JAK2JAK1TYK2ALDH1A1KDM4E
SCHEMBL15051479 0.82 JAK2 (0.44) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051058 0.82 JAK2 (0.41) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051591 0.82 JAK2 (0.41) JAK2JAK1TYK2SMN1; SMN2PIK3C3
SCHEMBL15051059 0.81 JAK2 (0.40) JAK2JAK1TYK2KDM4ESMN1; 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 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.