SCHEMBL2556871

SCHEMBL2556871

Nc1ccnc(-c2cn[nH]c2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.41
AKT1 P31749 1/20 0.41
MAPK8 P45983 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
MTOR P42345 1/20 0.40
LRRK2 Q5S007 1/20 0.38
CHEK1 O14757 4/20 0.38
ROCK2 O75116 1/20 0.38
MAPK1 P28482 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SCN9A Q15858 1/20 0.36
FYN P06241 1/20 0.35
GRM8 O00222 1/20 0.35
GRM4 Q14833 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
SCHEMBL17135791 0.79 AKT2 (0.41) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL25693365 0.75 MAPK8 (0.48) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL3419294 0.74 AKT2 (0.52) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL27754726 0.73 HSP90AA1 (0.42) MKNK1MKNK2IRAK4SCN9A
SCHEMBL19015307 0.72 MAPK8 (0.40) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL30462066 0.72 HSP90AA1 (0.40) MAPK1IRAK4
SCHEMBL31213013 0.71 MAPK8 (0.55) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL19750666 0.71 MAPK8 (0.55) AKT2AKT1MAPK8AURKAAURKB
SCHEMBL1018167 0.71 NPC1 (0.47) MAPK1SCN9A
SCHEMBL12443811 0.71 MEN1 (0.48) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF VORONOI INC (KR) 2025-11-13 US disclosed
EP-4534532-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF Voronoi Inc. (KR) 2025-04-09 EP disclosed
WO-2023174406-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-09-21 WO disclosed
EP-2558468-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES Array Biopharma, Inc. (US) 2013-02-20 EP disclosed
WO-2011130146-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2011-10-20 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-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF EGFR, ERBB2, ERBB3 AKT2 94/4885AKT1 73/4885MAPK8 561/4885

“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.