SCHEMBL4045149

SCHEMBL4045149

CC1c2ccccc2-c2n[nH]c(Nc3cccc(C(F)(F)F)c3)c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.43
KIF11 P52732 1/20 0.42
MAPT P10636 2/20 0.41
ADORA2A P29274 1/20 0.41
GRM4 Q14833 1/20 0.41
DHODH Q02127 1/20 0.40
TP53 P04637 1/20 0.40
STK10 O94804 2/20 0.40
SLK Q9H2G2 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4041829 0.85 FADS1 (0.42) MAPTGRM4TP53STK10SLK
SCHEMBL4042776 0.80 MEN1 (0.37) MAPTADORA2AGRM4DHODHALDH1A1
SCHEMBL4047796 0.79 TDP2 (0.40) KIF11ALDH1A1RAB9A
SCHEMBL4045471 0.79 DHODH (0.40) MAPTDHODHRAB9ASMN1; SMN2
SCHEMBL4043023 0.75 HIF1A (0.42) MAPTSTK10SLKALDH1A1GAA
SCHEMBL4040115 0.70 LCK (0.48) MAPTTP53STK10SLKALDH1A1
SCHEMBL4040100 0.70 PDGFRB (0.43)
SCHEMBL4044923 0.70 STK10 (0.43) MAPTTP53STK10SLKALDH1A1
SCHEMBL4047978 0.70 PDGFRB (0.54) IDH2MAPTTP53STK10SLK
SCHEMBL4046648 0.69 KMT2A (0.42) MAPTTP53ALDH1A1GAA

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN 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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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 IDH2 649/4885KIF11 2472/4885MAPT 3898/4885

“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.