SCHEMBL3254704

SCHEMBL3254704

Cc1ccnc2[nH]c(=O)[nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
AURKB Q96GD4 2/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL18879069 0.79 AURKA (0.48) AURKAAURKBGDAACHE
SCHEMBL9039612 0.78 AURKA (0.58) AURKAAURKBGDAKDM4EALDH1A1
SCHEMBL18152242 0.77 AURKA (0.41) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL1503032 0.77 BRD4 (0.48) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL9037748 0.75 AURKA (0.39) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL9695728 0.73 ABL1 (0.51) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL856054 0.71 EGFR (0.44) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL11480160 0.69 KDM5A (0.40) AURKAAURKBDAPK3JAK2MAP4K4
SCHEMBL8483100 0.69 DAO (0.61) AURKA
SCHEMBL30013759 0.69 PARP1 (0.49) KDM4EALDH1A1HPGDCYP1A2

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
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 US disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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 (2 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 AURKA 2453/4885AURKB 3079/4885DAPK3 1407/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 AURKA 264/4885AURKB 237/4885DAPK3 452/4885

“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.