SCHEMBL994128

SCHEMBL994128

O=c1[nH]c(Nc2ccccc2)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.46
BCL6 P41182 1/20 0.44
JAK2 O60674 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AURKA O14965 2/20 0.41
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL2281476 0.80 MEN1 (0.50) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL10745912 0.78 KDM6B (0.49) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL23712415 0.75 MAPK10 (0.50) MAPTLRRK2HTTNPSR1LMNA
SCHEMBL23704664 0.74 ALK (0.54) JAK2LRRK2AURKACHEK1PIM1
SCHEMBL10877067 0.71 MEN1 (0.44) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL2282586 0.70 TAAR1 (0.59) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL15349502 0.70 EGLN1 (0.48) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL10787999 0.69 PDE4B (0.51) MEN1KMT2AMAPTGAAPOLB
SCHEMBL10502996 0.69 MEN1 (0.45) MEN1KMT2ATAAR1MAPTGAA
SCHEMBL30289849 0.68 KDM4E (0.74) MEN1KMT2AMAPTGAAPOLB

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 9 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
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP disclosed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 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 (3 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 MEN1 2036/4885KMT2A 2345/4885TAAR1 1005/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C MEN1 2284/4885KMT2A 1758/4885TAAR1 1502/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 MEN1 2499/4885KMT2A 2050/4885TAAR1 1279/4885

“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.