SCHEMBL6029616

SCHEMBL6029616

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
ALOX15 P16050 1/20 0.36
ROCK2 O75116 2/20 0.36
HPGD P15428 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ROCK1 Q13464 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17B O94768 1/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 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
SCHEMBL7833614 0.95 AKT1 (0.38) CDK2AKT1ROCK2UTS2RROCK1
SCHEMBL6029125 0.93 MAPK1 (0.38) CDK2AKT1ROCK2UTS2RROCK1
SCHEMBL6028800 0.92 LMNA (0.38) ALOX15ROCK2HPGDROCK1CCNT1
SCHEMBL6028846 0.91 AKT1 (0.40) CDK2AKT1PDPK1RPS6KB1
SCHEMBL6029737 0.90 CDK9 (0.37) ALOX15ROCK2HPGDCDK9STK17B
SCHEMBL6028781 0.90 ALOX15 (0.36) ALOX15ROCK2HPGDSTK17BPDPK1
SCHEMBL6028621 0.89 LMNA (0.38) ALOX15ROCK2HPGDSTK17B
SCHEMBL6029200 0.89 ROCK2 (0.38) CDK2AKT1ALOX15ROCK2UTS2R
SCHEMBL6029139 0.88 KDM4E (0.41) HPGD
SCHEMBL6028227 0.87 LMNA (0.41) ALOX15ROCK2ROCK1CCNT1CDK9

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 CDK2 236/4885AKT1 4282/4885ALOX15 3444/4885

“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.