SCHEMBL4284189

SCHEMBL4284189

NC1=NC(c2cc(Br)ccc2OCC(F)(F)F)=CC(N)(c2ccc(Br)cc2)N1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AGPAT2 O15120 2/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL4284234 0.85 AGPAT2 (0.34) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL4284182 0.76 HRH4 (0.34) HRH4KDM4EMEN1USP2ALDH1A1
SCHEMBL4285201 0.70 HTR2B (0.35) ALDH1A1AGPAT2
SCHEMBL4280017 0.66 AGPAT2 (0.50) HRH4KDM4EHSP90AA1HSP90AB1AGPAT2
SCHEMBL25626623 0.66 ALDH1A1 (0.61) HRH4KDM4EMEN1USP2ALDH1A1
SCHEMBL13880259 0.65 AGPAT2 (0.67) AGPAT2
SCHEMBL8522538 0.64 ALDH1A1 (0.47) HRH4KDM4EMEN1USP2ALDH1A1
SCHEMBL20526576 0.63 ALDH1A1 (0.61) HRH4KDM4EMEN1USP2ALDH1A1
SCHEMBL6688689 0.61 AAK1 (0.47) HRH4KDM4EMEN1USP2ALDH1A1
SCHEMBL4284231 0.61 AGPAT2 (0.33) KDM4EMEN1USP2ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HRH4 3005/4885KDM4E 1842/4885MEN1 3158/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HRH4 3072/4885KDM4E 2160/4885MEN1 3425/4885

“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.