SCHEMBL4267380

SCHEMBL4267380

COc1nc(N)nc(OC)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNA2 P20248 2/20 0.54
CDK2 P24941 2/20 0.54
CCNA1 P78396 2/20 0.54
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
MPO P05164 2/20 0.51
PIN1 Q13526 2/20 0.51
TPO P07202 1/20 0.51
EPX P11678 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL16828160 0.85 MGMT (0.56) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL26977697 0.84 MGMT (0.55) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL2234851 0.79 L3MBTL1 (0.56) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL15132057 0.79 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL15088040 0.79 MGMT (0.53) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16852229 0.79 MGMT (0.64) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL29162739 0.78 MPO (0.46) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL15952449 0.76 HRH4 (0.56) TSHRL3MBTL1GAAMAPTRAB9A
SCHEMBL16828164 0.75 MGMT (0.56) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL26660073 0.75 NUDT1 (0.67) MGMTCDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268849-B2 Multifunctional Antioxidants and methods of use thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-09-18 US disclosed
US-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 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-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof AS3MT, OAT, NCL MGMT 85/4885CDK1 3657/4885CCNB1 1680/4885

“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.