SCHEMBL3082371

SCHEMBL3082371

O=CCC(=O)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BPTF Q12830 1/20 0.39
NPC1 O15118 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL6203722 1.00 ATM (0.52) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL27396631 0.98 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL4184360 0.81 ALDH1A1 (0.38) ATMALDH1A1SMN1; SMN2GAATDP1
SCHEMBL8185942 0.79 CYP1A2 (0.48) ALDH1A1SMN1; SMN2GAATDP1MEN1
SCHEMBL30455653 0.79 CA2 (0.45) GAAKMT2A
SCHEMBL3582413 0.79 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1GAAMEN1
SCHEMBL3949996 0.79 CYP1A2 (0.48) SMN1; SMN2L3MBTL1TDP1KMT2AHTT
SCHEMBL5517609 0.78 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL2184936 0.78 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL27978837 0.78 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1GAA

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 12 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
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP 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
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO 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
US-20090042864-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-02-12 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-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 (4 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-20090042864-A2 PYRAZOLE COMPOUNDS CNR2, CNR1, GPR18 ATM 4366/4885ALDH1A1 1456/4885SMN1; SMN2 3032/4885
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA ATM 1151/4885ALDH1A1 1360/4885SMN1; SMN2 3954/4885
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC ATM 3820/4885ALDH1A1 99/4885SMN1; SMN2 4443/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA ATM 1130/4885ALDH1A1 1784/4885SMN1; SMN2 4012/4885

“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.