SCHEMBL6028781

SCHEMBL6028781

COc1ccc(-c2cnc(CCC(=O)NC(Cc3ccc(Br)c(Br)c3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ROCK2 O75116 2/20 0.36
HPGD P15428 1/20 0.36
STK17B O94768 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
GAK O14976 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CHEK1 O14757 2/20 0.34
PDPK1 O15530 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
SCHEMBL6029737 0.90 CDK9 (0.37) ALOX15ROCK2HPGDSTK17BKMT2A
SCHEMBL6029616 0.90 CDK2 (0.37) ALOX15ROCK2HPGDSTK17BPDPK1
SCHEMBL6028621 0.89 LMNA (0.38) ALOX15ROCK2HPGDSTK17BKMT2A
SCHEMBL6029139 0.88 KDM4E (0.41) HPGDKMT2APDE4APDE4BPDE4C
SCHEMBL6029808 0.87 LMNA (0.41) ALOX15STK17BAAK1PDE4BCHEK1
SCHEMBL6028800 0.86 LMNA (0.38) ALOX15ROCK2HPGDPDE4BCHEK1
SCHEMBL7833614 0.85 AKT1 (0.38) ROCK2STK17BKMT2AGAK
SCHEMBL6029381 0.82 HPGD (0.37) ALOX15ROCK2HPGDSTK17BAAK1
SCHEMBL6030139 0.82 ALOX15 (0.37) ALOX15ROCK2HPGDSTK17BKMT2A
SCHEMBL6029125 0.82 MAPK1 (0.38) ROCK2KMT2AMEN1

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 ALOX15 3444/4885ROCK2 4172/4885HPGD 2040/4885

“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.