SCHEMBL4045524

SCHEMBL4045524

COc1cc2c(cc1F)Cc1c-2n[nH]c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.49
GRM4 Q14833 2/20 0.43
CHEK1 O14757 6/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42

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
SCHEMBL4044415 0.95 PDGFRB (0.55) PDGFRBGRM4CHEK1FLT4KDR
SCHEMBL4042534 0.87 CHEK1 (0.47) PDGFRBCHEK1FLT4KDRABL1
SCHEMBL4040847 0.86 PDGFRB (0.47) PDGFRBEGFRERBB2
SCHEMBL4041172 0.86 FBP1 (0.47) PDGFRBGRM4EGFRERBB2FBP1
SCHEMBL4044413 0.86 PDGFRB (0.43) PDGFRBGRM4CHEK1FLT4KDR
SCHEMBL4045532 0.86 EGFR (0.47) PDGFRBCHEK1KDREGFRERBB2
SCHEMBL4049492 0.85 PDGFRB (0.58) PDGFRBCHEK1
SCHEMBL4045476 0.85 PDGFRB (0.67) PDGFRBCHEK1
SCHEMBL4042307 0.85 PDGFRB (0.43) PDGFRBGRM4EGFRERBB2
SCHEMBL4043738 0.84 PDGFRB (0.59) PDGFRBCHEK1FLT4KDRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP 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
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 2/4885GRM4 3532/4885CHEK1 152/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA PDGFRB 2/4885GRM4 3491/4885CHEK1 151/4885

“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.