SCHEMBL4043548

SCHEMBL4043548

Fc1ccc(F)c(Nc2[nH]nc3c2Cc2cc(Cl)ccc2-3)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.37
ACHE P22303 3/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GRM4 Q14833 1/20 0.36
PDGFRB P09619 3/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CHEK1 O14757 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
FADS1 O60427 1/20 0.32

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
SCHEMBL4043001 0.93 ACHE (0.39) AKT1ACHEPDGFRBCA1CA2
SCHEMBL4046457 0.87 GPR35 (0.35) AKT1ACHEMAPTHPGDPDGFRB
SCHEMBL13887820 0.87 CHEK1 (0.34) AKT1ACHEPDGFRBCA1CA2
SCHEMBL4047687 0.85 ACHE (0.43) ACHEHPGDPDGFRBCHEK1
SCHEMBL4038714 0.84 PDGFRB (0.44) ACHEMAPTPDGFRB
SCHEMBL4043903 0.84 ABL1 (0.45) AKT1ACHEMAPTHPGDGRM4
SCHEMBL4041153 0.82 GRM4 (0.37) AKT1ACHEMAPTHPGDGRM4
SCHEMBL4044310 0.81 GRM4 (0.47) ACHEMAPTHPGDGRM4PDGFRB
SCHEMBL4043298 0.81 CHEK1 (0.50) PDGFRBCHEK1
SCHEMBL28752761 0.80 ACHE (0.41) ACHEMAPTHPGDGRM4PDGFRB

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 7 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
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 (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 AKT1 573/4885ACHE 4821/4885MAPT 3898/4885

“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.