SCHEMBL6030283

SCHEMBL6030283

COc1ccc(-c2cnc(CCC(=O)NC(Cc3cccc(Cl)c3Cl)C3CCCNC3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.37
CHEK1 O14757 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
KCNH2 Q12809 3/20 0.35
MBTPS1 Q14703 1/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
RPLP1 P05386 1/20 0.35
RPLP0 P05388 1/20 0.35
RPS17 P08708 1/20 0.35
RPSA P08865 1/20 0.35
RPS2 P15880 1/20 0.35
RPL35A P18077 1/20 0.35
RPL7 P18124 1/20 0.35

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
SCHEMBL7818522 0.95 SLC6A4 (0.38) GHSRGRIN1GRIN2BJAK2JAK1
SCHEMBL6030139 0.90 ALOX15 (0.37) SLC6A2SLC6A4KCNH2CDK9SLC6A3
SCHEMBL6029579 0.89 MAPK1 (0.37) SLC6A2SLC6A4KCNH2CDK9SLC6A3
SCHEMBL6030272 0.89 CHEK1 (0.37) GHSRCHEK1GRIN1GRIN2BJAK2
SCHEMBL6028530 0.87 CHEK1 (0.37) GHSRCHEK1GRIN1GRIN2BJAK2
SCHEMBL6028846 0.85 AKT1 (0.40) GHSRCHEK1GRIN1GRIN2BJAK2
SCHEMBL7826595 0.84 SLC6A4 (0.39) GRIN1GRIN2BJAK2JAK1SLC6A2
SCHEMBL7831305 0.82 MAPT (0.37) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL7829393 0.82 SLC6A4 (0.38) GRIN1GRIN2BJAK2JAK1SLC6A2
SCHEMBL7844227 0.82 MAPT (0.37) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6

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-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 GHSR 1024/4885CHEK1 531/4885GRIN1 1220/4885

“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.