SCHEMBL5572302

SCHEMBL5572302

CCOC(=O)c1c(-n2ccc(-n3cccn3)n2)cc(C)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CRHR1 P34998 4/20 0.39
PDE4B Q07343 1/20 0.38
PDE4A P27815 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
BDKRB2 P30411 1/20 0.36
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL2191307 0.81 CRHR1 (0.56) CRHR1
SCHEMBL5571400 0.79 JMJD6 (0.43) PDE4BSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL5572186 0.78 BDKRB2 (0.39) HCRTR1HCRTR2CRHR1KDM4EALDH1A1
SCHEMBL5572013 0.77 BDKRB2 (0.38) HCRTR1HCRTR2CRHR1KDM4EALDH1A1
SCHEMBL5571874 0.76 CRHR1 (0.40) HCRTR1HCRTR2CRHR1KDM4EALDH1A1
SCHEMBL5568709 0.76 CRHR1 (0.38) HCRTR1HCRTR2CRHR1KDM4EALDH1A1
SCHEMBL3242643 0.75 CRHR1 (0.49) CRHR1
SCHEMBL5572296 0.73 CRHR1 (0.37) CRHR1KDM4EALDH1A1BDKRB2
SCHEMBL5572298 0.73 CRHR1 (0.37) CRHR1KDM4EALDH1A1BDKRB2
SCHEMBL1059732 0.70 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1GAARAB9A

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
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US disclosed
EP-1583531-A1 HETEROARYL- SUBSTITUTED PYRROLO' 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc (US) 2005-10-12 EP disclosed
WO-2004062665-A1 HETEROARYL- SUBSTITUTED PYRROLO` 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-07-29 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 (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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH HCRTR1 73/4885HCRTR2 67/4885CRHR1 1/4885

“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.