SCHEMBL4044548

SCHEMBL4044548

COc1cc(Nc2[nH]nc3c2Cc2c(OC)cccc2-3)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.43
TP53 P04637 1/20 0.41
HIF1A Q16665 2/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PARP1 P09874 1/20 0.38
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
SRC P12931 3/20 0.37
ZAP70 P43403 3/20 0.37
SYK P43405 3/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
PSEN1 P49768 1/20 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
SCHEMBL4047978 0.90 PDGFRB (0.54) PDGFRBTP53HIF1ASTK10SLK
SCHEMBL4044383 0.83 PDGFRB (0.52) PDGFRBHIF1ASTK10SLKACHE
SCHEMBL4051997 0.83 PDGFRB (0.46) PDGFRBTP53HIF1ASRCSYK
SCHEMBL4366459 0.81 PDGFRB (0.52) PDGFRBHIF1ASRCBRAFKDR
SCHEMBL4043886 0.81 PDGFRB (0.63) PDGFRBHIF1ASTK10SLKACHE
SCHEMBL4038939 0.80 PDGFRB (0.52) PDGFRBTP53HIF1ASTK10SLK
SCHEMBL13145999 0.78 PDGFRB (0.44) PDGFRBTP53HIF1AACHESMN1; SMN2
SCHEMBL4047572 0.78 TP53 (0.46) PDGFRBTP53HIF1ASTK10SLK
SCHEMBL4049500 0.78 PDGFRB (0.54) PDGFRBSRCKDR
SCHEMBL4047207 0.77 PDGFRB (0.69) PDGFRBTP53STK10SLKSRC

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 PDGFRB 2/4885TP53 109/4885HIF1A 1740/4885

“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.