SCHEMBL4286926

SCHEMBL4286926

COc1ccc(C2(N)C=CN=C(N)N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
APP P05067 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4278745 0.82 ACHE (0.31) MAOBMAOA
SCHEMBL4282740 0.80
SCHEMBL4278349 0.75 MAOA (0.37) TDP1MAOBMAOACYP1A2
SCHEMBL14358976 0.74 TDP1 (0.36) TDP1MAPK1CYP3A4ALDH1A1BACE1
SCHEMBL884564 0.73 SIGMAR1 (0.40) TDP1ALDH1A1CA12CA1CA2
SCHEMBL3301277 0.72 BACE1 (0.39) BACE1
SCHEMBL2911025 0.71 MAPT (0.40) MAPK1ALDH1A1KDM4ENPC1CYP1A2
SCHEMBL28142631 0.67 MAOB (0.37) TDP1MAPK1CYP3A4ALDH1A1BACE1
SCHEMBL5003082 0.66 TDP1 (0.37) TDP1MAPK1CYP3A4ALDH1A1BACE1
SCHEMBL2843552 0.64

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 TDP1 625/4885MAPK1 3470/4885CYP3A4 4728/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TDP1 639/4885MAPK1 3449/4885CYP3A4 4816/4885

“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.