SCHEMBL5845356

SCHEMBL5845356

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
PIK3CG P48736 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
SRC P12931 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KDR P35968 2/20 0.38
EGFR P00533 1/20 0.38
DYRK1A Q13627 2/20 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
SCHEMBL2189399 0.78 THRB (0.43) THRBPIK3CGPIK3CAPIK3CBSRC
SCHEMBL3288568 0.76 THRB (0.41) THRBPIK3CGPIK3CAPIK3CBSRC
SCHEMBL13578880 0.74 KMT2A (0.43) THRBNR1I2AHRSRCMEN1
SCHEMBL18796170 0.72 MEN1 (0.67) THRBPIK3CGSRCCNR2MAPK1
SCHEMBL4769088 0.72 THRB (0.38) THRBPIK3CGSRCCNR2MAPK1
SCHEMBL5845129 0.71 KMT2A (0.45) THRBPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL3270971 0.71 THRB (0.38) THRBPIK3CGSRCCNR2MAPK1
SCHEMBL18000045 0.71 ALDH1A1 (0.46) THRBMEN1KMT2ARXFP1KDM4E
SCHEMBL19787592 0.71 ALOX15 (0.40) MAPK1MEN1KMT2ARXFP1LMNA
SCHEMBL31633893 0.70 THRB (0.45) THRBPIK3CGPIK3CAPIK3CBSRC

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
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 THRB 226/4885PIK3CG 4554/4885PIK3CA 4751/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 THRB 217/4885PIK3CG 4514/4885PIK3CA 4344/4885

“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.