SCHEMBL3175606

SCHEMBL3175606

Nc1ncncc1CNC=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
PIK3CD O00329 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL25370967 0.76 TKT (0.37) TKTMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3182502 0.75 DHFR (0.43)
SCHEMBL27089486 0.74 TKT (0.43) TKTCYP1A2KMT2A
SCHEMBL29998587 0.74 TKT (0.43) TKTCYP1A2KMT2A
SCHEMBL12877696 0.72
SCHEMBL29895017 0.72 LMNA (0.51) TKTCYP1A2
SCHEMBL1571451 0.72 LMNA (0.51) TKTCYP1A2
SCHEMBL11807834 0.70 DHFR (0.36)
SCHEMBL317516 0.70
SCHEMBL27655885 0.69 TKT (0.39) TKTMEN1CYP1A2CYP3A4CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103896935-A Preparation method for 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazole nitrate Jiangxi tianxin pharmaceutical co ltd 2014-07-02 CN disclosed
US-8198443-B2 Synthesis of 4-amino-pyrimidines scaffolds DSM IP ASSETS B.V. (NL) 2012-06-12 US disclosed
US-20100016591-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES SCAFFOLDS DSM IP ASSETS B.V. (NL) 2010-01-21 US disclosed
EP-2102172-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES DSM IP Assets B.V. (NL) 2009-09-23 EP disclosed
EP-1972620-A1 Synthesis of 4-amino-pyrimidines DSMIP Assets B.V. (NL) 2008-09-24 EP disclosed
WO-2008087021-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2008-07-24 WO 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 (1 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-20100016591-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES SCAFFOLDS HRH3, HRH4, CBR3 TKT 3186/4885ADH1B 2096/4885ADH1C 597/4885

“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.