SCHEMBL5207753

SCHEMBL5207753

COc1ccc(-c2cn[c]nc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
PDE4A P27815 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAK O14976 1/20 0.44
KIT P10721 1/20 0.44
DYRK1A Q13627 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8840880 0.81 PDE4A (0.67) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL5535149 0.80 PDGFRB (0.47) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL6029081 0.76 PDGFRB (0.58) PDGFRBPDGFRAPDE4AKDM4EGAK
SCHEMBL3769943 0.76 PDGFRB (0.58) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL1897455 0.74 ESR2 (0.50) PDGFRBPDGFRAALDH1A1KDM4ESMN1; SMN2
SCHEMBL5832416 0.73 PDGFRB (0.55) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL7616076 0.73 ALDH1A1 (0.58) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL16541896 0.73 PDE4A (0.57) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL28467263 0.72 PDE4A (0.52) PDGFRBPDGFRAPDE4AALDH1A1KDM4E
SCHEMBL11330797 0.72 MAPT (0.61) PDGFRBPDGFRAPDE4AALDH1A1SMN1; 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453514-B1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA HOFFMANN LA ROCHE (CH) 2007-07-18 EP claimed
US-7049317-B2 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-23 US claimed
US-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 US claimed
US-6906073-B2 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-06-14 US claimed
EP-1453514-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP claimed
EP-1453825-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP claimed
EP-1427696-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2004-06-16 EP claimed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 US claimed
US-20030176441-A1 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2003-09-18 US claimed
US-20030119885-A1 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-06-26 US claimed
WO-2003045393-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO claimed
WO-2003045937-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO claimed
WO-2003022799-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2003-03-20 WO claimed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US claimed
EP-1358181-B1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1453514-B1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA HOFFMANN LA ROCHE (CH) 2007-07-18 EP disclosed
US-20060194790-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists GONG LEYI 2006-08-31 US disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 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 (4 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-20030229121-A1 Piperidine CCR-3 receptor antagonists CCR1, CCR3, CCRL2 PDGFRB 331/4885PDGFRA 232/4885PDE4A 1434/4885
US-20030119885-A1 CCR-3 receptor antagonists CCR1, CCR3, CCR4 PDGFRB 650/4885PDGFRA 682/4885PDE4A 1053/4885
US-20030176441-A1 Piperazine CCR-3 receptor antagonists CCR3, CCR1, CCRL2 PDGFRB 399/4885PDGFRA 279/4885PDE4A 914/4885
US-20060194790-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists CCR3, CCR10, CCR1 PDGFRB 1156/4885PDGFRA 1202/4885PDE4A 3530/4885

“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.