SCHEMBL3080246

SCHEMBL3080246

O=[C]NCCNC(=O)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
NPC1 O15118 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 2/20 0.56
NAAA Q02083 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALOX5 P09917 2/20 0.50
POLB P06746 1/20 0.50
MPO P05164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
ESRRG P62508 1/20 0.50

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
SCHEMBL31119120 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL5707054 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL31119121 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL15769882 0.86 HTT (0.67) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL8346286 0.86 HTT (0.67) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL1658011 0.81 HPGD (0.66) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL6007633 0.80 HPGD (0.59) HTTNPC1HPGDALDH1A1MAPT
SCHEMBL1754811 0.79 NAAA (0.64) HTTNPC1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL15769552 0.79 HTT (0.73) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL823552 0.79 NAAA (0.84) HTTNPC1HPGDHSD17B10TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
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 claimed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN claimed
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 claimed
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-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-1914179-A Immobilized n-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 CN disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HTT 2172/4885NPC1 2394/4885HPGD 683/4885
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC HTT 4817/4885NPC1 3651/4885HPGD 1108/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HTT 2169/4885NPC1 2618/4885HPGD 699/4885

“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.