SCHEMBL3087004

SCHEMBL3087004

CC(NC(=O)c1c[c]ccc1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
GAA P10253 1/20 0.34
CTSF Q9UBX1 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL160225 0.85 NPSR1 (0.47) ALDH1A1SMN1; SMN2RAB9AHPGDNPSR1
SCHEMBL3316333 0.82 SLC1A2 (0.39) ALDH1A1ATMSMN1; SMN2RAB9AHPGD
SCHEMBL865161 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL161002 0.75 HDAC8 (0.48) SMN1; SMN2HPGDGAAHTTTSHR
SCHEMBL159472 0.74 KMT2A (0.63) ALDH1A1ATMKDM4ESMN1; SMN2RAB9A
SCHEMBL6159654 0.73 HDAC6 (0.56) KDM4E
SCHEMBL1455901 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL10716721 0.72 KDM4E (0.48) ALDH1A1KDM4EGAAHTTCYP1A2
SCHEMBL689066 0.72 GAA (0.41) ALDH1A1ATMKDM4ESMN1; SMN2RAB9A
SCHEMBL391457 0.72 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD

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
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-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
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO 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 (2 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 1360/4885ATM 1151/4885KDM4E 2367/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA ALDH1A1 1784/4885ATM 1130/4885KDM4E 2319/4885

“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.