SCHEMBL4039766

SCHEMBL4039766

COc1cccc2c1Cc1c-2n[nH]c1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.52
CCNT1 O60563 1/20 0.52
TTK P33981 2/20 0.47
CDK2 P24941 1/20 0.46
PDGFRB P09619 2/20 0.45
RPS6KA2 Q15349 1/20 0.44
BMPR2 Q13873 4/20 0.44
HIF1A Q16665 1/20 0.41
LRRK2 Q5S007 2/20 0.41
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL4043886 0.83 PDGFRB (0.63) PDGFRBHIF1AMAPK8GSK3BSTK10
SCHEMBL4038939 0.82 PDGFRB (0.52) PDGFRBHIF1AABL1LCKFGFR1
SCHEMBL4047978 0.80 PDGFRB (0.54) PDGFRBHIF1ASTK10SLK
SCHEMBL4051997 0.79 PDGFRB (0.46) PDGFRBHIF1AABL1LCKFGFR1
SCHEMBL4366459 0.79 PDGFRB (0.52) PDGFRBHIF1AABL1LCKFGFR1
SCHEMBL4044383 0.79 PDGFRB (0.52) PDGFRBRPS6KA2HIF1ASTK10SLK
SCHEMBL4047051 0.78 PDGFRB (0.49) PDGFRBHIF1ACA1CA2
SCHEMBL13887592 0.77 TTK (0.46) CDK9CCNT1TTKPDGFRBRPS6KA2
SCHEMBL4044548 0.74 PDGFRB (0.43) CDK2PDGFRBHIF1AKDRDYRK1B
SCHEMBL13145999 0.74 PDGFRB (0.44) PDGFRBHIF1A

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 9 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-2111401-A1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-10-28 EP disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
WO-2008079968-A1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO] -3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2008-07-03 WO 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 CDK9 82/4885CCNT1 106/4885TTK 399/4885

“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.