SCHEMBL4046610

SCHEMBL4046610

CC(C)Oc1cc2c(cc1OC(C)C)C(C)c1c-2n[nH]c1Nc1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
EGFR P00533 11/20 0.34
ABL1 P00519 2/20 0.34
PRKCA P17252 1/20 0.34
NTRK1 P04629 2/20 0.33
FBP1 P09467 3/20 0.33
ERBB2 P04626 3/20 0.33
GAK O14976 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
TNF P01375 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK13 O15264 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDK1 P06493 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
SRC P12931 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3094054 0.89 PDGFRB (0.48) PDGFRBEGFRABL1FBP1ERBB2
SCHEMBL3070313 0.89 PDGFRB (0.48) PDGFRBEGFRABL1FBP1ERBB2
SCHEMBL3070309 0.89 PDGFRB (0.48) PDGFRBEGFRABL1FBP1ERBB2
SCHEMBL4046330 0.88 LCK (0.37) PDGFRBEGFRABL1NTRK1FBP1
SCHEMBL4045102 0.87 PDGFRB (0.39) PDGFRBEGFRABL1PRKCAKDM4E
SCHEMBL4043369 0.86 FBP1 (0.47) PDGFRBEGFRABL1PRKCAFBP1
SCHEMBL4045418 0.85 CHEK1 (0.36) MAPTMKNK1CHEK1
SCHEMBL4042472 0.82 CHEK1 (0.33) PDGFRBNTRK1GAKMKNK1CHEK1
SCHEMBL4042950 0.81 PDGFRB (0.46) PDGFRBEGFRABL1FBP1ERBB2
SCHEMBL4050643 0.80 GRM4 (0.41) PDGFRBEGFRFBP1ERBB2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN 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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA PDGFRB 2/4885EGFR 26/4885ABL1 13/4885

“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.