SCHEMBL6028275

SCHEMBL6028275

COc1ccc(-c2cnc(SCC(=O)NC(Cc3cc(Cl)c(Cl)s3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CHEK1 O14757 2/20 0.36
STK17B O94768 1/20 0.36
PAICS P22234 1/20 0.35
GAK O14976 1/20 0.35
ALOX15 P16050 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
SCHEMBL6029732 0.89 LMNA (0.40) POLBATMLMNARAB9ATSHR
SCHEMBL6029381 0.88 HPGD (0.37) CHEK1STK17BPAICSGAKALOX15
SCHEMBL6028227 0.87 LMNA (0.41) POLBATMLMNARAB9ATSHR
SCHEMBL6029268 0.85 MAPT (0.43) POLBATMLMNARAB9ATSHR
SCHEMBL6028518 0.85 CHEK1 (0.39) POLBATMLMNARAB9ATSHR
SCHEMBL6029438 0.85 CHEK1 (0.39) POLBATMLMNARAB9ATSHR
SCHEMBL6029378 0.85 LMNA (0.40) POLBATMLMNARAB9ATSHR
SCHEMBL6029156 0.85 LMNA (0.41) POLBATMLMNARAB9ATSHR
SCHEMBL6169643 0.83 LMNA (0.46) POLBATMLMNARAB9ATSHR
SCHEMBL6028843 0.83 LMNA (0.38) POLBATMLMNARAB9ATSHR

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 8 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 claimed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP claimed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
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 POLB 2585/4885ATM 1991/4885LMNA 3926/4885

“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.