SCHEMBL6028822

SCHEMBL6028822

COc1ccc(-c2cnc(SCC(=O)NC(Cc3ccc4c(c3)CCC4)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
STK17B O94768 1/20 0.36
MAPT P10636 5/20 0.36
ALOX15 P16050 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CHEK1 O14757 2/20 0.35
PDE4B Q07343 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
SCHEMBL6028227 0.89 LMNA (0.41) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6030459 0.89 LMNA (0.41) LMNAPOLBATMRAB9ATSHR
SCHEMBL6029808 0.89 LMNA (0.41) LMNAPOLBATMRAB9ATSHR
SCHEMBL6029268 0.89 MAPT (0.43) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6028834 0.88 LMNA (0.42) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6029156 0.88 LMNA (0.41) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6028349 0.88 LMNA (0.41) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6028621 0.88 LMNA (0.38) LMNAHTTSMN1; SMN2NPSR1STK17B
SCHEMBL6028518 0.87 CHEK1 (0.39) LMNAPOLBATMRAB9ASMN1; SMN2
SCHEMBL6029438 0.87 CHEK1 (0.39) LMNAPOLBATMRAB9ASMN1; SMN2

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 LMNA 3926/4885POLB 2585/4885ATM 1991/4885

“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.