SCHEMBL4083135

SCHEMBL4083135

CN(C)C(=O)c1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
GFER P55789 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
CNR1 P21554 1/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4074044 0.75 MAP4K1 (0.30)
SCHEMBL8828745 0.74 ALDH1A1 (0.65) ALDH1A1MAPK1SMN1; SMN2POLBGFER
SCHEMBL7749289 0.73 SMN1; SMN2 (0.39) ALDH1A1MAPK1SMN1; SMN2POLBHTT
SCHEMBL24984062 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4082477 0.70 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2POLBTSHR
SCHEMBL1989330 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2POLBKMT2A
SCHEMBL1724048 0.70 NFKB1 (0.44) ALDH1A1SMN1; SMN2HTTKMT2ACNR1
SCHEMBL30986414 0.69 GFER (0.35) ALDH1A1MAPK1SMN1; SMN2POLBGFER
Hydrochloric Acid SCHEMBL10581422 0.69 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2POLBKMT2A
SCHEMBL9135606 0.69 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2POLBTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US disclosed
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 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-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 ALDH1A1 619/4885MAPK1 1430/4885SMN1; SMN2 2937/4885

“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.