SCHEMBL4044178

SCHEMBL4044178

CCOc1cccc(Nc2[nH]nc3c2C(C)c2cc(OCC)c(OCC)cc2-3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
PTK6 Q13882 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 4/20 0.36
TTK P33981 2/20 0.36
MAPK8 P45983 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL13146454 0.94 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL13146470 0.94 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL4047825 0.94 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL4041088 0.94 EGFR (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4043369 0.89 FBP1 (0.47) ALDH1A1HPGDMAPK1EGFRKDM4E
SCHEMBL4044788 0.89 FBP1 (0.47) EGFRFBP1
SCHEMBL13146473 0.86 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL13146455 0.86 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL4047036 0.86 MAPT (0.41) SYKPTK6MEN1KMT2AALDH1A1
SCHEMBL4043194 0.86 ALPL (0.39) MEN1KMT2AALDH1A1TP53MAPK1

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
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 (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 SYK 1417/4885PTK6 872/4885MEN1 2796/4885

“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.