SCHEMBL4805178

SCHEMBL4805178

Clc1ccc(-c2c(Oc3ccncc3)nc(OC3CC3)nc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.43
CNR2 P34972 13/20 0.43
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL4807832 0.88 CNR1 (0.40) CNR1CNR2CYP2C9
SCHEMBL4801849 0.88 CNR1 (0.48) CNR1CNR2CDC7DBF4CCNE1
SCHEMBL4809553 0.87 CNR1 (0.46) CNR1CNR2
SCHEMBL14107195 0.85 CNR1 (0.45) CNR1CNR2
SCHEMBL4807867 0.85 CNR1 (0.39) CNR1CNR2CYP2C9
SCHEMBL4807053 0.77 CNR1 (0.48) CNR1CNR2
SCHEMBL4807617 0.75 PTGS2 (0.38) CNR1CNR2
SCHEMBL4801891 0.75 CNR1 (0.45) CNR1CNR2
SCHEMBL14107184 0.74 CNR1 (0.43) CNR1CNR2
SCHEMBL4807100 0.74 CNR1 (0.47) CNR1CNR2

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-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US claimed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US claimed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885CDC7 4095/4885

“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.