SCHEMBL6029381

SCHEMBL6029381

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
STK17B O94768 1/20 0.36
GAK O14976 1/20 0.36
ALOX15 P16050 1/20 0.36
ROCK2 O75116 1/20 0.35
NPC1 O15118 1/20 0.35
CHEK1 O14757 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PAICS P22234 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL6028275 0.88 POLB (0.40) STK17BGAKALOX15CHEK1PAICS
SCHEMBL6029616 0.87 CDK2 (0.37) HPGDSTK17BALOX15ROCK2CCNT1
SCHEMBL6030139 0.85 ALOX15 (0.37) HPGDSTK17BALOX15ROCK2CCNT1
SCHEMBL6028800 0.83 LMNA (0.38) HPGDALOX15ROCK2CHEK1CCNT1
SCHEMBL6029737 0.82 CDK9 (0.37) HPGDSTK17BALOX15ROCK2CHEK1
SCHEMBL6028781 0.82 ALOX15 (0.36) HPGDSTK17BGAKALOX15ROCK2
SCHEMBL7833614 0.82 AKT1 (0.38) STK17BGAKROCK2
SCHEMBL6029139 0.82 KDM4E (0.41) HPGD
SCHEMBL6028621 0.82 LMNA (0.38) HPGDSTK17BGAKALOX15ROCK2
SCHEMBL6029125 0.79 MAPK1 (0.38) ROCK2

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 HPGD 2040/4885STK17B 3891/4885GAK 1033/4885

“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.