SCHEMBL4769088

SCHEMBL4769088

Cc1nc(Cl)c(CCOS(C)(=O)=O)c(Nc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CNR2 P34972 1/20 0.37
DYRK1A Q13627 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CG P48736 1/20 0.34
HDAC3 O15379 3/20 0.34
KDR P35968 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34

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
SCHEMBL3270971 0.94 THRB (0.38) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL5496988 0.86 SMO (0.36) HTTSMN1; SMN2MAPTKDM4ELMNA
SCHEMBL5571885 0.81 THRB (0.38) THRBCNR2DYRK1ADYRK1BSMN1; SMN2
SCHEMBL2189399 0.80 THRB (0.43) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL4765655 0.79 MEN1 (0.34) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL5492382 0.79 CRHR1 (0.36)
SCHEMBL3288568 0.75 THRB (0.41) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL5845356 0.72 THRB (0.46) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL4946961 0.69 KDM4E (0.47) ALDH1A1KDM4ELMNA
SCHEMBL11046462 0.69 ALDH1A1 (0.40) ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 THRB 447/4885CNR2 47/4885DYRK1A 1661/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 THRB 508/4885CNR2 125/4885DYRK1A 3861/4885

“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.