SCHEMBL4290426

SCHEMBL4290426

NC1=NC(N)(c2ccc(-c3cocn3)cc2)C=CN1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
ALOX5AP P20292 2/20 0.33

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
SCHEMBL2846013 0.74 BACE1 (0.42)
SCHEMBL4292713 0.73 TAAR1 (0.35)
SCHEMBL4278345 0.73 MAOA (0.37)
SCHEMBL1646055 0.69 HDAC4 (0.44) HDAC4
SCHEMBL27607302 0.65 HDAC4 (0.51) HDAC4
SCHEMBL648786 0.65 SCN9A (0.53) HDAC4
SCHEMBL15332478 0.65 HDAC4 (0.41) HDAC4
SCHEMBL4286812 0.62 MAPT (0.46)
SCHEMBL5999068 0.62 HDAC4 (0.44) HDAC4
SCHEMBL9288053 0.62 ENPP3 (0.47) HDAC4

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 HDAC4 2997/4885ALOX5AP 394/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HDAC4 2858/4885ALOX5AP 398/4885

“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.