SCHEMBL4052012

SCHEMBL4052012

COc1cccc(Nc2[nH]nc3c2Cc2c(OCCCN(C)C)cccc2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
PDGFRB P09619 2/20 0.41
CHEK1 O14757 2/20 0.40
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
CDK1 P06493 1/20 0.38
SRC P12931 1/20 0.38
PRKCA P17252 1/20 0.38
CACNA1B Q00975 2/20 0.37
GRM4 Q14833 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36

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
SCHEMBL13145876 0.90 PDGFRB (0.38) PDGFRBCHEK1ABL1EGFRSRC
SCHEMBL4046585 0.89 PDGFRB (0.43) PDGFRBCHEK1CACNA1BKDM4EALDH1A1
SCHEMBL4048781 0.89 PLK1 (0.40) PDGFRBCHEK1ABL1EGFRCDK1
SCHEMBL4043884 0.89 PDGFRB (0.39) PDGFRBCHEK1ABL1EGFRCDK1
SCHEMBL4049263 0.87 PDGFRB (0.43) PDGFRBCHEK1KDM4EALDH1A1GAA
SCHEMBL4047538 0.86 CACNA1B (0.39) PDGFRBCHEK1CDK1CACNA1B
SCHEMBL4046728 0.85 SGMS2 (0.36) PDGFRBCHEK1EGFRCACNA1BPLK1
SCHEMBL4051929 0.80 LMNA (0.36) HIF1APDGFRBKDM4EALDH1A1GAA
SCHEMBL4040244 0.79 PDGFRB (0.53) HIF1APDGFRBCHEK1ABL1EGFR
SCHEMBL4046826 0.78 PDGFRB (0.54) PDGFRBCHEK1ABL1SRC

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 HIF1A 1740/4885PDGFRB 2/4885CHEK1 152/4885

“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.