SCHEMBL4282248

SCHEMBL4282248

CCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 14/20 0.55
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 4/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
GCGR P47871 1/20 0.46
MAPK14 Q16539 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 1/20 0.43

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
SCHEMBL4277599 0.94 AGPAT2 (0.54) AGPAT2HSP90AA1HSP90AB1DHFR
SCHEMBL4289149 0.92 AGPAT2 (0.53) AGPAT2HSP90AA1HSP90AB1DHFR
SCHEMBL4282695 0.90 AGPAT2 (0.67) AGPAT2HSP90AA1HSP90AB1DHFR
SCHEMBL4291022 0.89 AGPAT2 (0.52) AGPAT2HSP90AA1HSP90AB1
SCHEMBL4277513 0.86 AGPAT2 (0.49) AGPAT2HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL3952206 0.83 HSP90AA1 (0.68) AGPAT2HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4280017 0.82 AGPAT2 (0.50) AGPAT2HSP90AA1HSP90AB1KDM4E
SCHEMBL13880319 0.81 AGPAT2 (0.85) AGPAT2
SCHEMBL4282091 0.81 AGPAT2 (0.53) AGPAT2HSP90AA1HSP90AB1KDM4E
SCHEMBL4279048 0.80 HSP90AA1 (0.49) AGPAT2HSP90AA1HSP90AB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 100/4885HSP90AA1 4126/4885HSP90AB1 4236/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885HSP90AA1 4006/4885HSP90AB1 3829/4885

“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.