SCHEMBL4947734

SCHEMBL4947734

Cc1nc(Cl)c(CCCO)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PDK2 Q15119 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2178726 0.88 PDK2 (0.34) PDK2ALDH1A1
SCHEMBL12495762 0.79 PDK2 (0.42) KDM4EPDK2TLR8TLR7ALDH1A1
SCHEMBL12493933 0.78 KDM4E (0.32) KDM4EPDK2TLR8TLR7ALDH1A1
SCHEMBL20840567 0.78 KDM4E (0.34) KDM4EPDK2ALDH1A1
SCHEMBL31663131 0.77 TLR8 (0.33) KDM4ETLR8TLR7
SCHEMBL3632947 0.73 ALDH1A1 (0.35) KDM4EPOLBSIRT2ALDH1A1SMN1; SMN2
SCHEMBL2179135 0.72 PDK2 (0.32) PDK2
SCHEMBL30200775 0.71 KDM4E (0.32) KDM4EPOLBTLR8
SCHEMBL22939970 0.71 KDM4E (0.32) KDM4EPOLBTLR8
SCHEMBL5844067 0.70 PDK2 (0.37) KDM4EPDK2

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
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 KDM4E 4106/4885POLB 2581/4885PDK2 1949/4885

“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.