SCHEMBL4282091

SCHEMBL4282091

Nc1nc(Cl)cc(-c2cc(Br)ccc2OCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 8/20 0.53
HSP90AA1 P07900 3/20 0.48
HSP90AB1 P08238 3/20 0.48
KDM4E B2RXH2 1/20 0.46
BACE1 P56817 1/20 0.44
SLC6A4 P31645 1/20 0.44
CCR5 P51681 3/20 0.43
ADCY10 Q96PN6 1/20 0.42
PTGER1 P34995 1/20 0.42

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
SCHEMBL5095747 0.88 BACE1 (0.54) AGPAT2HSP90AA1HSP90AB1KDM4EBACE1
SCHEMBL6640887 0.83 AGPAT2 (0.49) AGPAT2HSP90AA1SLC6A4CCR5PTGER1
SCHEMBL4282695 0.83 AGPAT2 (0.67) AGPAT2HSP90AA1HSP90AB1
SCHEMBL13880330 0.82 AGPAT2 (0.75) AGPAT2
SCHEMBL4280017 0.81 AGPAT2 (0.50) AGPAT2HSP90AA1HSP90AB1KDM4E
SCHEMBL3943328 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1KDM4EBACE1ADCY10
SCHEMBL4282248 0.81 AGPAT2 (0.55) AGPAT2HSP90AA1HSP90AB1KDM4E
SCHEMBL4291022 0.80 AGPAT2 (0.52) AGPAT2HSP90AA1HSP90AB1
SCHEMBL4277599 0.80 AGPAT2 (0.54) AGPAT2HSP90AA1HSP90AB1
SCHEMBL3952206 0.78 HSP90AA1 (0.68) AGPAT2HSP90AA1HSP90AB1

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.