SCHEMBL4802465

SCHEMBL4802465

COc1nc(O)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.CSc1nc(O)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.39
CNR2 P34972 6/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DPP4 P27487 1/20 0.36
MAT2A P31153 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL4802907 0.91 CNR1 (0.42) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL4810291 0.91 KDM4E (0.42) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4809965 0.82 CNR1 (0.46) CNR1CNR2KDM4ECYP1A2CYP2C19
SCHEMBL30941215 0.78 CNR1 (0.46) CNR1CNR2DPP4MAT2ACRHR1
SCHEMBL4803537 0.78 KDM4E (0.43) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL4807155 0.78 CNR1 (0.46) CNR1CNR2DPP4MAT2ACRHR1
SCHEMBL4810403 0.74 CNR1 (0.43) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL7701876 0.74 RAB9A (0.43) KDM4EMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4807181 0.73 CNR1 (0.40) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL14107176 0.72 CNR1 (0.57) CNR1CNR2DPP4

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-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 2/4885KDM4E 3554/4885

“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.