SCHEMBL4048321

SCHEMBL4048321

COc1cc2c(cc1OC)C(C)c1c-2n[nH]c1Nc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
CHEK1 O14757 3/20 0.39
RAD52 P43351 1/20 0.38
BRAF P15056 1/20 0.38
NTRK1 P04629 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP3A4 P08684 3/20 0.37
USP2 O75604 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ERBB2 P04626 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
SCHEMBL4041188 0.90 KDR (0.35) EGFRTP53MAPTCHEK1BRAF
SCHEMBL4040100 0.88 PDGFRB (0.43) EGFRCHEK1BRAFCYP1A2CYP2D6
SCHEMBL4042472 0.88 CHEK1 (0.33) CHEK1NTRK1KMT2AMEN1
SCHEMBL4044573 0.88 EGFR (0.44) EGFRMAPTCHEK1LMNAALDH1A1
SCHEMBL4040115 0.88 LCK (0.48) EGFRTP53MAPTCHEK1RAD52
SCHEMBL4042936 0.87 CSF1R (0.39) TP53MAPTCHEK1NTRK1CYP1A2
SCHEMBL4043198 0.86 EGFR (0.45) EGFRLMNAALDH1A1ERBB2KMT2A
SCHEMBL4045373 0.84 PDGFRB (0.47) EGFRMAPTCHEK1CYP3A4MAPK1
SCHEMBL4046364 0.81 PDGFRB (0.48) EGFRTP53MAPTCYP1A2CYP2D6
SCHEMBL3094054 0.81 PDGFRB (0.48) EGFRMAPTCYP1A2CYP2D6CYP2C19

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 EGFR 26/4885TP53 109/4885MAPT 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.