SCHEMBL3270971

SCHEMBL3270971

Cc1nc(Cl)c(CCCOS(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 0.35
DYRK1B Q9Y463 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.35
P2RX7 Q99572 1/20 0.35
HDAC3 O15379 5/20 0.35
KDR P35968 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 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
SCHEMBL4769088 0.94 THRB (0.38) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL5571885 0.87 THRB (0.38) THRBCNR2DYRK1ADYRK1BSMN1; SMN2
SCHEMBL5496988 0.81 SMO (0.36) HTTSMN1; SMN2KDRMAPTKDM4E
SCHEMBL2189399 0.79 THRB (0.43) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL4946961 0.77 KDM4E (0.47) KDM4EALDH1A1LMNA
SCHEMBL3288568 0.75 THRB (0.41) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL4765655 0.74 MEN1 (0.34) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL5492382 0.74 CRHR1 (0.36) CRHR1
SCHEMBL5845356 0.71 THRB (0.46) THRBCNR2DYRK1ADYRK1BHTT
SCHEMBL5492061 0.70 ALDH1A1 (0.34) CNR2HTTSMN1; SMN2MAPTKDM4E

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
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 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

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 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.