SCHEMBL2189399

SCHEMBL2189399

Cc1nc(Cl)c(CCO)c(Nc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
CNR2 P34972 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CG P48736 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DYRK1A Q13627 4/20 0.38
DYRK1B Q9Y463 4/20 0.38
SRC P12931 1/20 0.38
DYRK3 O43781 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL3288568 0.82 THRB (0.41) THRBCNR2HTTLMNAMAPK1
SCHEMBL4769088 0.80 THRB (0.38) THRBCNR2HTTLMNAMAPK1
SCHEMBL3270971 0.79 THRB (0.38) THRBCNR2HTTLMNAMAPK1
SCHEMBL5845356 0.78 THRB (0.46) THRBCNR2HTTLMNAMAPK1
SCHEMBL2191701 0.76 TRPV1 (0.36) ALDH1A1MEN1KMT2ACRHR1EGFR
SCHEMBL2179135 0.74 PDK2 (0.32)
SCHEMBL2178726 0.71 PDK2 (0.34) HTTALDH1A1
SCHEMBL12493933 0.69 KDM4E (0.32) HTTKDM4EALDH1A1
SCHEMBL5843131 0.69 CNR2 (0.39) THRBCNR2SMN1; SMN2DYRK1ADYRK1B
SCHEMBL5844189 0.69 CRHR1 (0.44) THRBCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP disclosed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 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 (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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 THRB 426/4885CNR2 36/4885HTT 1266/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 THRB 416/4885CNR2 9/4885HTT 3777/4885

“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.