SCHEMBL1938007

SCHEMBL1938007

CC(C)(C)CNc1nc(Cl)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 7/20 0.50
STK17B O94768 5/20 0.50
NUDT1 P36639 3/20 0.46
MAPK8 P45983 3/20 0.42
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCL6 P41182 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TTK P33981 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL5786509 0.83 NUDT1 (0.45) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL4134213 0.83 MEN1 (0.46) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL30718893 0.83 MEN1 (0.46) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL4137651 0.83 NUDT1 (0.51) STK17ASTK17BNUDT1MAPK8ALDH1A1
Hydrochloric Acid SCHEMBL5788283 0.82 NUDT1 (0.44) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL1936651 0.82 STK17A (0.44) STK17ASTK17BALDH1A1L3MBTL1BCL6
SCHEMBL5436631 0.81 NUDT1 (0.43) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL5789412 0.80 NUDT1 (0.42) STK17ASTK17BNUDT1MAPK8ALDH1A1
SCHEMBL1935303 0.79 STK17B (0.47) STK17ASTK17BALDH1A1L3MBTL1MEN1
SCHEMBL2060599 0.79 STK17B (0.45) STK17ASTK17BNUDT1MAPK8ALDH1A1

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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C STK17A 2888/4885STK17B 3187/4885NUDT1 165/4885

“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.