SCHEMBL6029146

SCHEMBL6029146

COc1ccc(-c2cnc(OCC(=O)NC(Cc3ccc4c(c3)OCO4)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
KIT P10721 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6029139 0.89 KDM4E (0.41) FYNKDM4EEDNRBEDNRAKIT
SCHEMBL6029200 0.87 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL7827088 0.83 DYRK1A (0.39) ROCK2ROCK1
SCHEMBL6029742 0.82 CDK9 (0.38) ROCK2ROCK1
SCHEMBL6029214 0.80 MCHR1 (0.45) MAPTKMT2AMCHR1RAB9A
SCHEMBL6029004 0.80 MAPK1 (0.39) FYNMAPTMAPK1ROCK2ROCK1
SCHEMBL6030080 0.80 MCHR1 (0.44) KDM4EMAPTKMT2AL3MBTL1MCHR1
SCHEMBL6029140 0.78 KIT (0.40) FYNKDM4EKITMAPTTHRB
SCHEMBL6029151 0.78 CHEK1 (0.39) MAPK1ROCK2ROCK1
SCHEMBL6028781 0.77 ALOX15 (0.36) KMT2AHPGDROCK2

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 5 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
CN-1665506-A 2, 5-substituted pyrimidine derivatives as CCR-3 receptor antagonists IX HOFFMANN LA ROCHE (CH) 2005-09-07 CN 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 FYN 2872/4885KDM4E 3781/4885EDNRB 249/4885

“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.