SCHEMBL1937173

SCHEMBL1937173

CCC(C)CNc1nc(Cl)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 7/20 0.41
STK17B O94768 4/20 0.41
CACNA2D1 P54289 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
CTSL P07711 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.32
CRHR1 P34998 2/20 0.31
ACACB O00763 1/20 0.30
BCL6 P41182 1/20 0.30

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
SCHEMBL1937307 0.85 ESR1 (0.49) STK17ASTK17BALDH1A1L3MBTL1ESR1
SCHEMBL20652230 0.82 STK17A (0.42) STK17ASTK17BALDH1A1L3MBTL1ESR1
SCHEMBL1935303 0.79 STK17B (0.47) STK17ASTK17BALDH1A1L3MBTL1MEN1
SCHEMBL1935123 0.78 ALDH1A1 (0.41) STK17ASTK17BALDH1A1L3MBTL1KMT2A
SCHEMBL1937476 0.77 GLP1R (0.44) STK17ASTK17BALDH1A1L3MBTL1MEN1
SCHEMBL28814671 0.77 STK17B (0.42) STK17ASTK17BBCL6
SCHEMBL27987018 0.77 STK17B (0.42) STK17ASTK17BBCL6
SCHEMBL1934538 0.76 STK17A (0.51) STK17ASTK17BALDH1A1L3MBTL1KMT2A
SCHEMBL1936022 0.75 STK17A (0.48) STK17ASTK17BUTS2RALDH1A1L3MBTL1
SCHEMBL2061199 0.75 STK17B (0.40) STK17ASTK17BALDH1A1L3MBTL1ESR1

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 3187/4885CACNA2D1 3486/4885

“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.