SCHEMBL4047495

SCHEMBL4047495

COc1ccc2c(c1)Cc1c-2n[nH]c1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALPL P05186 1/20 0.45
CLK1 P49759 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK14 Q16539 3/20 0.43
CHEK1 O14757 1/20 0.41
HIF1A Q16665 1/20 0.40
GALR2 O43603 1/20 0.40
TP53 P04637 1/20 0.40
DHODH Q02127 1/20 0.39
GSK3B P49841 1/20 0.39
PIK3CA P42336 1/20 0.38
IKBKB O14920 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4047352 0.94 PDGFRB (0.48) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4041878 0.89 PDGFRB (0.48) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4051452 0.88 PDGFRB (0.51) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4048829 0.86 CHEK1 (0.53) PDGFRBCHEK1GSK3B
SCHEMBL4045920 0.85 PDGFRB (0.65) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4039991 0.84 DHODH (0.40) PDGFRBCHEK1DHODHACHE
SCHEMBL4047789 0.84 TRPA1 (0.42) PDGFRBCHEK1TP53DHODHACHE
SCHEMBL4044835 0.84 PDGFRB (0.46) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4047927 0.83 PDGFRB (0.55) PDGFRBMEN1KMT2ANPC1RAB9A
SCHEMBL4040474 0.83 PDGFRB (0.48) PDGFRBCHEK1HIF1AGALR2DHODH

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 2/4885MEN1 2796/4885KMT2A 2557/4885

“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.