SCHEMBL4043071

SCHEMBL4043071

OCCCOc1cc2c(cc1OCCCO)-c1n[nH]c(Nc3cccc(Cl)c3)c1C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.48
CHEK1 O14757 4/20 0.41
EIF2AK1 Q9BQI3 1/20 0.39
EGFR P00533 8/20 0.39
ABL1 P00519 5/20 0.39
SRC P12931 5/20 0.39
PRKCA P17252 5/20 0.39
PDGFRA P16234 1/20 0.39
CDK1 P06493 2/20 0.37
KDR P35968 2/20 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
SCHEMBL4046830 0.95 PDGFRB (0.56) PDGFRBCHEK1EIF2AK1ABL1SRC
SCHEMBL4044937 0.95 PDGFRB (0.47) PDGFRBCHEK1EIF2AK1EGFRABL1
SCHEMBL4044208 0.90 PDGFRB (0.52) PDGFRBCHEK1EIF2AK1EGFRABL1
SCHEMBL3087012 0.89 PDGFRB (0.48) PDGFRBCHEK1ABL1SRCPDGFRA
SCHEMBL4041498 0.87 EGFR (0.39) PDGFRBEGFRABL1SRCPRKCA
SCHEMBL4041011 0.87 PDGFRB (0.52) PDGFRBCHEK1ABL1SRCPDGFRA
SCHEMBL4039079 0.87 GRM4 (0.42) PDGFRBCHEK1EGFRKDR
SCHEMBL4042948 0.86 PDGFRB (0.43) PDGFRBCHEK1ABL1SRCPDGFRA
SCHEMBL3082714 0.85 PDGFRB (0.55) PDGFRBCHEK1ABL1SRCPDGFRA
SCHEMBL13145427 0.85 PDGFRB (0.46) PDGFRBCHEK1ABL1SRCPDGFRA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091328-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-08-26 EP claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
WO-2008054698-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-05-08 WO claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US 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 (2 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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA PDGFRB 2/4885CHEK1 152/4885EIF2AK1 2531/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA PDGFRB 2/4885CHEK1 151/4885EIF2AK1 2562/4885

“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.