SCHEMBL4288289

SCHEMBL4288289

CCOc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 14/20 0.61
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4281823 0.93 AGPAT2 (0.72) AGPAT2
SCHEMBL4280067 0.93 CYP1A2 (0.58) AGPAT2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4290421 0.90 AGPAT2 (0.54) AGPAT2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4285127 0.89 AGPAT2 (0.58) AGPAT2CCNT1CDK9
SCHEMBL14077147 0.79 CYP1A2 (0.46) AGPAT2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4286118 0.78 AGPAT2 (0.49) AGPAT2TSHR
SCHEMBL4277528 0.74 AGPAT2 (0.80) AGPAT2
SCHEMBL13880314 0.74 AGPAT2 (0.77) AGPAT2
SCHEMBL13880239 0.74 AGPAT2 (0.76) AGPAT2
SCHEMBL4277451 0.74 AGPAT2 (1.00) 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 6 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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
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 AGPAT2 100/4885ALDH1A1 1326/4885CYP1A2 4325/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885ALDH1A1 1116/4885CYP1A2 4519/4885

“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.