SCHEMBL1936022

SCHEMBL1936022

CC(C)CCNc1nc(Cl)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 11/20 0.48
STK17B O94768 8/20 0.48
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SLC29A1 Q99808 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL14941832 0.84 CYP1A2 (0.44) STK17ASTK17BCYP1A2LMNATP53
SCHEMBL1937307 0.83 ESR1 (0.49) STK17ASTK17BTP53MAPTSLC29A1
SCHEMBL1934538 0.81 STK17A (0.51) STK17ASTK17BALDH1A1L3MBTL1
SCHEMBL28675876 0.79 STK17B (0.40) STK17ASTK17BCYP1A2LMNATP53
SCHEMBL22261163 0.78 JAK3 (0.55) STK17ASTK17BCYP1A2
SCHEMBL14941801 0.78 PIN1 (0.51) STK17ACYP1A2LMNATP53MAPT
SCHEMBL1937398 0.78 STK17A (0.56) STK17ASTK17BALDH1A1L3MBTL1KDM4E
SCHEMBL1938460 0.77 STK17A (0.51) STK17ASTK17BTP53ALDH1A1L3MBTL1
SCHEMBL1935303 0.77 STK17B (0.47) STK17ASTK17BLMNAALDH1A1L3MBTL1
SCHEMBL1938676 0.77 STK17A (0.51) STK17ASTK17BCYP1A2LMNATSHR

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 3187/4885CYP1A2 176/4885

“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.