SCHEMBL25311322

SCHEMBL25311322

O=C(c1ccnc(Nc2ccccc2)n1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
CCNC P24863 2/20 0.51
CDK8 P49336 2/20 0.51
IKBKB O14920 2/20 0.51
CHUK O15111 1/20 0.51
SYK P43405 1/20 0.51
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MKNK2 Q9HBH9 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
AURKA O14965 3/20 0.45
AURKB Q96GD4 1/20 0.45
CHEK1 O14757 1/20 0.44
NPC1 O15118 1/20 0.44
PDPK1 O15530 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL29466410 1.00 MKNK1 (0.55) MKNK1CCNCCDK8IKBKBCHUK
SCHEMBL29466335 0.91 GSK3A (0.50) MKNK1IKBKBCHUKGSK3AGSK3B
SCHEMBL25882561 0.91 GSK3A (0.50) MKNK1IKBKBCHUKGSK3AGSK3B
SCHEMBL25311802 0.89 CYP1A2 (0.54) MKNK1IKBKBCHUKSYKGSK3A
SCHEMBL27180497 0.87 GSK3A (0.47) MKNK1IKBKBCHUKGSK3AGSK3B
SCHEMBL29466324 0.85 CYP1A2 (0.53) GSK3AGSK3BAURKAAURKBMAPK1
SCHEMBL25882538 0.85 MAPK1 (0.51) SYKNPC1CDK1CDK2MAPK1
SCHEMBL25311511 0.85 CYP1A2 (0.53) GSK3AGSK3BAURKAAURKBMAPK1
SCHEMBL25311993 0.83 GSK3A (0.44) IKBKBCHUKSYKKMT2AGSK3A
SCHEMBL25879087 0.83 L3MBTL1 (0.49) IKBKBSYKGSK3AGSK3BAURKA

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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-03-28 US disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed
WO-2022057932-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed
WO-2022057928-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LANCL2, CBS, LCP2 MKNK1 2017/4885CCNC 3576/4885CDK8 3368/4885

“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.