SCHEMBL7098623

SCHEMBL7098623

NC(=O)c1cccc(-c2ccncn2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
IKBKE Q14164 1/20 0.43
PKMYT1 Q99640 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
JAK2 O60674 2/20 0.41
BCAT2 O15382 1/20 0.41
PARP1 P09874 2/20 0.41
CYP46A1 Q9Y6A2 2/20 0.40
CSNK1A1 P48729 2/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CDC7 O00311 2/20 0.39
GRM5 P41594 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GRK6 P43250 1/20 0.37

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
SCHEMBL7099840 0.88 G6PD (0.45) IKBKBCHUKIKBKEPKMYT1CHRNB2
SCHEMBL29134476 0.86 KEAP1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL16654579 0.86 BCAT2 (0.53) IKBKBCHUKIKBKEPKMYT1CHRNB2
SCHEMBL31329756 0.84 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
Hydrochloric Acid SCHEMBL30692651 0.83 BCAT2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL25421476 0.80 BCAT2 (0.51) IKBKBCHUKIKBKEPKMYT1CHRNB2
SCHEMBL30882864 0.80 JAK2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL21629952 0.80 SYK (0.39) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL21381430 0.80 JAK2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4JAK2
SCHEMBL7098629 0.80 PARP1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270987-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND (주) 업테라 2022-12-29 WO disclosed
EP-3185868-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2017-07-05 EP disclosed
WO-2016033100-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-03-03 WO disclosed
US-9238628-B2 Phenyl amino pyrimidine compounds and uses thereof YM Biosicences Australia PTY LTD (US) 2016-01-19 US disclosed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO 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-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 IKBKB 214/4885CHUK 30/4885IKBKE 114/4885

“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.