SCHEMBL349005

SCHEMBL349005

O=c1[nH]cnc2ccc(CN3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.56
IP6K1 Q92551 5/20 0.53
IP6K3 Q96PC2 3/20 0.53
IP6K2 Q9UHH9 1/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
AURKA O14965 1/20 0.52
JAK2 O60674 1/20 0.52
LCK P06239 1/20 0.52
MET P08581 1/20 0.52
KIT P10721 1/20 0.52
MAPK1 P28482 1/20 0.52
KDR P35968 1/20 0.52
SYK P43405 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
GSK3B P49841 1/20 0.52
JAK3 P52333 1/20 0.52
EPHB4 P54760 1/20 0.52

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
SCHEMBL28224558 0.91 MAPKAPK2 (0.58) MAPKAPK2IP6K1IP6K3IP6K2PIK3CD
SCHEMBL13266887 0.84 PIK3CD (0.59) MAPKAPK2PIK3CDPIK3CAPIK3CBAURKA
SCHEMBL29720511 0.81 DRD4 (0.55) MAPKAPK2PIK3CAJAK2PARP1HRH3
SCHEMBL13244673 0.80 PIK3CD (0.55) MAPKAPK2IP6K1IP6K3IP6K2PIK3CD
SCHEMBL110226 0.79 HRH3 (0.49) MAPKAPK2JAK2MAPK1PARP1HRH3
SCHEMBL18643551 0.78 PARP1 (0.54) IP6K1KDRPARP1IDO1TDO2
SCHEMBL8871230 0.77 PIK3CD (0.80) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL349204 0.76 CHEK1 (0.53) MAPKAPK2MAPK1PARP1HRH3CHEK1
SCHEMBL27683290 0.76 PARP1 (0.52) AURKAPARP1CHEK1IDO1TDO2
SCHEMBL21524687 0.75 PARP1 (0.51) MAPKAPK2KDRPARP1CHEK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
CN-102458405-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-05-16 CN disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 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-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MAPKAPK2 1842/4885IP6K1 1341/4885IP6K3 1671/4885

“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.