SCHEMBL4285795

SCHEMBL4285795

Nc1nc(Cl)cc(-c2cc(Cl)ccc2OCC(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.54
HSP90AB1 P08238 7/20 0.54
AGPAT2 O15120 12/20 0.51
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4280017 0.87 AGPAT2 (0.50) HSP90AA1HSP90AB1AGPAT2KDM4E
SCHEMBL4286869 0.84 AGPAT2 (0.70) HSP90AA1HSP90AB1AGPAT2
SCHEMBL13880258 0.83 AGPAT2 (0.76) AGPAT2
SCHEMBL5095747 0.80 BACE1 (0.54) HSP90AA1HSP90AB1AGPAT2KDM4E
SCHEMBL4280537 0.79 HSP90AA1 (0.71) HSP90AA1HSP90AB1AGPAT2KDM4EALDH1A1
SCHEMBL4285988 0.77 SLC6A4 (0.50) HSP90AA1HSP90AB1AGPAT2
SCHEMBL4281889 0.74 HSP90AB1 (0.75) HSP90AA1HSP90AB1AGPAT2KDM4E
SCHEMBL7832979 0.74 MAPT (0.61) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL8626519 0.72 KMT2A (0.46) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL13880226 0.72 AGPAT2 (0.82) 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 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 HSP90AA1 4126/4885HSP90AB1 4236/4885AGPAT2 100/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSP90AA1 4006/4885HSP90AB1 3829/4885AGPAT2 94/4885

“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.