SCHEMBL4046441

SCHEMBL4046441

Fc1cccc(F)c1CNc1[nH]nc2c1Cc1c(OCCCN3CCOCC3)cccc1-2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CHEK1 O14757 4/20 0.42
USP2 O75604 1/20 0.40
CYP2D6 P10635 2/20 0.39
TSHR P16473 1/20 0.39
NFE2L2 Q16236 1/20 0.38
EPHX2 P34913 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
FLT3 P36888 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL4042770 0.92 KDM4E (0.50) KDM4ECHEK1USP2CYP2D6TSHR
SCHEMBL4040728 0.90 CHEK1 (0.42) KDM4ECHEK1USP2CYP2D6TSHR
SCHEMBL4044806 0.84 EIF2AK1 (0.34) MAPK14
SCHEMBL13146325 0.82 EGFR (0.50) KDM4ECHEK1CYP2D6EPHX2CYP2C19
SCHEMBL4041506 0.79 EGFR (0.50) KDM4ECHEK1USP2EPHX2
SCHEMBL4042320 0.78 EIF2AK1 (0.47) CYP2D6FLT3
SCHEMBL4043694 0.77 KDM4E (0.49) KDM4ECHEK1EPHX2
SCHEMBL4044488 0.75 ALDH1A1 (0.35) KDM4ECHEK1
SCHEMBL24997065 0.69 KDM4E (1.00) KDM4EUSP2CYP2D6TSHRNFE2L2
SCHEMBL4046499 0.68 CHEK1 (0.60) CHEK1

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 KDM4E 2367/4885CHEK1 152/4885USP2 4400/4885

“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.