SCHEMBL15051131

SCHEMBL15051131

NC(=O)c1cn(-c2cc(N)ncc2Cl)cc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.46
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
PARP1 P09874 2/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL15051468 0.90 TUBB4A (0.39) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15051386 0.90 JAK2 (0.51) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15050891 0.84 TUBB4A (0.40) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15051005 0.83 TUBB4A (0.39) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15072385 0.82 TUBB4A (0.42) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15051613 0.80 GABRP (0.44) JAK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15057724 0.80 PARP1 (0.39) JAK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15051865 0.79 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15050838 0.76 TUBB4A (0.44) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL15058203 0.75 JAK2 (0.42) JAK2JAK1TYK2TUBB4ATUBB

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.