SCHEMBL7859575

SCHEMBL7859575

Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.54
GPR55 Q9Y2T6 4/20 0.54
CNR2 P34972 3/20 0.54
GPR35 Q9HC97 1/20 0.50
PTGS2 P35354 4/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
KDM4E B2RXH2 2/20 0.48
DRD2 P14416 1/20 0.48
AURKA O14965 3/20 0.47
PTGES O14684 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7852489 0.92 CNR1 (0.60) CNR1GPR55CNR2GPR35PTGS2
SCHEMBL9048316 0.87 FAAH (0.61) PTGS2CA12CA1CA2CA9
SCHEMBL7859636 0.82 PTGS2 (0.59) CNR1GPR55GPR35PTGS2CCNE1
SCHEMBL7852485 0.82 POLB (0.51) PTGS2CCNE1CDK2CA12CA1
SCHEMBL16202074 0.79 CNR1 (0.47) CNR1GPR55CNR2GPR35CA12
SCHEMBL14996674 0.79 MAPK13 (0.44) CNR1GPR55CNR2PTGS2KDM4E
SCHEMBL24572684 0.78 CCNE1 (0.54) CNR1GPR35CCNE1CDK2KDM4E
SCHEMBL7852486 0.78 PTGS2 (0.57) PTGS2CCNE1CDK2KDM4EAURKA
SCHEMBL7095866 0.78 KDM4E (0.50) CNR1GPR55CNR2GPR35PTGS2
SCHEMBL7858370 0.78 PTGS2 (0.60) PTGS2CCNE1CDK2AURKAPTGES

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
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 CNR1 3875/4885GPR55 4008/4885CNR2 4146/4885

“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.