SCHEMBL4763149

SCHEMBL4763149

C=CCc1c(O)nc(C)nc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.36
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
SRD5A1 P18405 1/20 0.33
PDE4B Q07343 2/20 0.32

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
SCHEMBL7029592 0.98 KDM4E (0.38) KDM4EMEN1KMT2AL3MBTL1GLA
SCHEMBL3800226 0.77 NPSR1 (0.38) NPSR1MAPTSRD5A1
SCHEMBL15434645 0.76 NPSR1 (0.48) KDM4EMEN1KMT2AL3MBTL1GLA
SCHEMBL5807749 0.74 NPSR1 (0.47) KDM4EMEN1KMT2AL3MBTL1GLA
SCHEMBL3277032 0.73 GAA (0.39) KDM4EMEN1KMT2AL3MBTL1GLA
SCHEMBL2059464 0.70 CDC7 (0.35) KDM4EMEN1KMT2AL3MBTL1NPSR1
SCHEMBL18120869 0.69 GAA (0.33) NPSR1MCL1GAASMN1; SMN2ALDH1A1
SCHEMBL5810793 0.69 KDM4E (0.39) KDM4EMEN1KMT2AGLANPSR1
SCHEMBL9024724 0.68 GAA (0.46) KDM4EMEN1KMT2AL3MBTL1GLA
SCHEMBL1034284 0.68 NPSR1 (0.35) NPSR1MAPTSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011152485-A1 NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-12-08 WO disclosed
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
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-20050054661-A1 Corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2005-03-10 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-1395591-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 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-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 KDM4E 3877/4885MEN1 1950/4885KMT2A 4592/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 KDM4E 4106/4885MEN1 1506/4885KMT2A 4464/4885

“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.