SCHEMBL6029140

SCHEMBL6029140

COc1ccc(-c2cnc(OCC(=O)NC(C)(c3ccc4c(c3)OCO4)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.40
FYN P06241 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 5/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PDE5A O76074 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6028819 0.89 KIT (0.39) KITFYNMAPTMAPK1THRB
SCHEMBL6029906 0.89 MCHR1 (0.40) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL6029743 0.82 KMT2A (0.41) NPC1POLBMAPTMAPK1KMT2A
SCHEMBL6029207 0.81 MCHR1 (0.38) POLBMAPTKMT2ATSHRALDH1A1
SCHEMBL6029444 0.80 L3MBTL1 (0.43) POLBMAPTKMT2ATSHRALDH1A1
SCHEMBL6029146 0.78 FYN (0.42) KITFYNNPC1RAB9APOLB
SCHEMBL6029113 0.76 KMT2A (0.39) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL6029398 0.76 STK17B (0.36) MAPK1HPGDPDE5ALMNANPSR1
SCHEMBL6029331 0.75 LMNA (0.40) RAB9APOLBMAPTTHRBKMT2A
SCHEMBL6169605 0.75 LMNA (0.38) RAB9APOLBMAPTMAPK1KMT2A

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 KIT 537/4885FYN 2872/4885NPC1 828/4885

“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.