SCHEMBL6029207

SCHEMBL6029207

COc1ccc(-c2cnc(CCC(=O)NC(C)(c3ccc4c(c3)OCO4)C3CCCNC3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD5 Q86SK9 1/20 0.36
TERT O14746 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PTPN11 Q06124 1/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CHEK1 O14757 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
SCHEMBL6028819 0.92 KIT (0.39) ALDH1A1MAPTTSHRKMT2A
SCHEMBL6029743 0.91 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL6029444 0.87 L3MBTL1 (0.43) MCHR1ALDH1A1MAPTMEN1TSHR
SCHEMBL6029906 0.82 MCHR1 (0.40) MCHR1MAPTKMT2ATP53CHEK1
SCHEMBL6029140 0.81 KIT (0.40) ALDH1A1MAPTTSHRKMT2APOLB
SCHEMBL6029113 0.79 KMT2A (0.39) ALDH1A1MAPTKMT2ATP53POLB
SCHEMBL6029398 0.79 STK17B (0.36)
SCHEMBL6029214 0.79 MCHR1 (0.45) MCHR1ALDH1A1MAPTMEN1TSHR
SCHEMBL6029211 0.74 RPLP1 (0.35) ALDH1A1TSHRTP53POLBPDPK1
SCHEMBL6028952 0.73 JAK2 (0.46) MEN1KMT2APDPK1RPS6KB1CHEK1

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 MCHR1 797/4885ALDH1A1 2280/4885MAPT 4134/4885

“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.