SCHEMBL4041860

SCHEMBL4041860

COc1ccc2c(c1)-c1n[nH]c(Nc3ccccc3)c1C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.65
HIF1A Q16665 2/20 0.49
ACHE P22303 2/20 0.49
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
MAPK14 Q16539 1/20 0.44
NPY5R Q15761 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.41
CLK1 P49759 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EIF2AK1 Q9BQI3 1/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4045920 0.93 PDGFRB (0.65) PDGFRBHIF1AACHECA1CA2
SCHEMBL4047927 0.93 PDGFRB (0.55) PDGFRBHIF1AACHECA1CA2
SCHEMBL4044155 0.88 PDGFRB (0.51) PDGFRBHIF1AACHECA1CA2
SCHEMBL4042183 0.88 PDGFRB (0.51) PDGFRBHIF1AACHECA1CA2
SCHEMBL4045491 0.88 PDGFRB (0.53) PDGFRBHIF1AACHECA1CA2
SCHEMBL4045095 0.87 PDGFRB (0.64) PDGFRBEIF2AK1CHEK1
SCHEMBL4040474 0.85 PDGFRB (0.48) PDGFRBHIF1AACHECHEK1
SCHEMBL4047352 0.85 PDGFRB (0.48) PDGFRBHIF1AACHECA1CA2
SCHEMBL4045211 0.85 HIF1A (0.65) PDGFRBHIF1AMEN1KMT2AKDM4E
SCHEMBL4044889 0.85 HIF1A (0.48) PDGFRBHIF1AACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130022-B1 3-Aza-6,8-dioxabicyclo[3.2.1]octanes and analogues and combinatorial libraries containing them UNIV FIRENZE (IT) 2009-07-22 EP claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
EP-1130022-A1 3-Aza-6,8-dioxabicyclo[3.2.1]octanes and analogues and combinatorial libraries containing them Universita Degli Studi di Firenze (IT) 2001-09-05 EP claimed
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-1130022-B1 3-Aza-6,8-dioxabicyclo[3.2.1]octanes and analogues and combinatorial libraries containing them UNIV FIRENZE (IT) 2009-07-22 EP 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
EP-1130022-A1 3-Aza-6,8-dioxabicyclo[3.2.1]octanes and analogues and combinatorial libraries containing them Universita Degli Studi di Firenze (IT) 2001-09-05 EP 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 (2 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 2/4885HIF1A 1740/4885ACHE 4821/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA PDGFRB 2/4885HIF1A 2106/4885ACHE 4811/4885

“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.