SCHEMBL4278745

SCHEMBL4278745

Cc1ccc(C2(N)C=CN=C(N)N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
MAOB P27338 4/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL4278349 0.79 MAOA (0.37) MAOBMAOA
SCHEMBL4282740 0.77
SCHEMBL2911025 0.74 MAPT (0.40)
SCHEMBL2843552 0.67
SCHEMBL5374545 0.66 MAOB (0.34) ACHEMAOBMAOA
SCHEMBL5369107 0.60 ACHE (0.32) ACHEMAOBMAOA
SCHEMBL1720309 0.55 MAOB (0.46) MAOBMAOA
Hydrochloric Acid SCHEMBL16446863 0.54 MAOB (0.48) MAOBMAOA
P-Xylene SCHEMBL28336749 0.53 ACHE (0.80) ACHE
P-Xylene SCHEMBL27705396 0.53 ACHE (0.80) ACHE

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 ACHE 3995/4885MAOB 1532/4885MAOA 1717/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ACHE 3979/4885MAOB 1354/4885MAOA 1891/4885

“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.