SCHEMBL4044488

SCHEMBL4044488

OCCCOc1cccc2c1Cc1c-2n[nH]c1NCc1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 5/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4044806 0.90 EIF2AK1 (0.34) MEN1KMT2ALMNAKITFLT1
SCHEMBL4049927 0.89 EIF2AK1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL4042770 0.84 KDM4E (0.50) ALDH1A1KDM4ECHEK1
SCHEMBL4041401 0.82 EIF2AK1 (0.47) CHEK1
SCHEMBL6202990 0.78 EIF2AK1 (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL4045621 0.78 KDR (0.39) FLT1KDRHTTMAPK1
SCHEMBL4046441 0.75 KDM4E (0.49) KDM4ECHEK1
SCHEMBL4042320 0.74 EIF2AK1 (0.47) SMN1; SMN2KDRMAPK1
SCHEMBL4041498 0.74 EGFR (0.39) MAPTMEN1KMT2AKDR
SCHEMBL4050350 0.73 EIF2AK1 (0.45) 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 8 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
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 ALDH1A1 1360/4885SMN1; SMN2 3954/4885MAPT 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.