SCHEMBL4047036

SCHEMBL4047036

CCOc1cccc(Nc2[nH]nc3c2C(CC)c2cc(OC)c(OC)cc2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RPS6KA2 Q15349 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALOX12 P18054 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PDGFRB P09619 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL13146455 1.00 MAPT (0.41) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL13146473 1.00 MAPT (0.41) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL4041656 0.93 PDGFRB (0.45) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL4047825 0.92 MAPT (0.41) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL13146470 0.92 MAPT (0.41) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL13146454 0.92 MAPT (0.41) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL13145438 0.87 PDGFRB (0.45) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL4044178 0.86 SYK (0.38) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL3082788 0.86 PDGFRB (0.46) MAPTKDM4EMAPK1PDGFRBSRC
SCHEMBL3082793 0.86 PDGFRB (0.46) MAPTKDM4EMAPK1PDGFRBSRC

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 11 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
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
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 (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 MAPT 3898/4885ALDH1A1 1360/4885HPGD 683/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA MAPT 3829/4885ALDH1A1 1784/4885HPGD 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.