SCHEMBL1937585

SCHEMBL1937585

CSCC(C)(C)Nc1nc(Cl)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
BCL6 P41182 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL2447552 0.78 STK17B (0.43) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL2061903 0.74 STK17A (0.40) STK17BSTK17ABCL6ALDH1A1MEN1
SCHEMBL1938007 0.70 STK17A (0.50) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL1937566 0.70 STK17B (0.36) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL4535369 0.68 LRRK2 (0.51) STK17BSTK17AALDH1A1L3MBTL1JAK2
SCHEMBL1935303 0.67 STK17B (0.47) STK17BSTK17AALDH1A1L3MBTL1MEN1
SCHEMBL14670668 0.67 STK17B (0.39) STK17BSTK17ABCL6ALDH1A1JAK2
SCHEMBL14677468 0.67 ALDH1A1 (0.46) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL16684828 0.67 S100A9 (0.42) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL13649031 0.66 MEN1 (0.44) STK17BSTK17ABCL6ALDH1A1L3MBTL1

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-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
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 (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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C STK17B 3187/4885STK17A 2888/4885BCL6 4720/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D STK17B 2960/4885STK17A 2245/4885BCL6 4328/4885

“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.