SCHEMBL4284182

SCHEMBL4284182

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
APP P05067 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AGPAT2 O15120 1/20 0.31
PTPN1 P18031 2/20 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
SCHEMBL4284231 0.85 AGPAT2 (0.33) APPKDM4EMEN1KMT2AUSP2
SCHEMBL4284189 0.76 HRH4 (0.34) HRH4APPKDM4EMEN1KMT2A
SCHEMBL4278353 0.74 AGPAT2 (0.47) KDM4EUSP2ALDH1A1HSD17B10AGPAT2
SCHEMBL4285195 0.69 HTR2B (0.35) ALDH1A1AGPAT2
SCHEMBL4282210 0.68 HTR6 (0.33)
SCHEMBL25626623 0.66 ALDH1A1 (0.61) HRH4APPKDM4EMEN1KMT2A
SCHEMBL4280017 0.65 AGPAT2 (0.50) HRH4KDM4EHSP90AA1HSP90AB1AGPAT2
SCHEMBL8522538 0.64 ALDH1A1 (0.47) HRH4APPKDM4EMEN1KMT2A
SCHEMBL20526576 0.63 ALDH1A1 (0.61) HRH4APPKDM4EMEN1KMT2A
SCHEMBL13880259 0.63 AGPAT2 (0.67) AGPAT2

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 3005/4885APP 3784/4885KDM4E 1842/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HRH4 3072/4885APP 3017/4885KDM4E 2160/4885

“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.