SCHEMBL5572013

SCHEMBL5572013

Cc1cc(-n2ccc(-n3cccn3)n2)c(CCO)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.38
CRHR1 P34998 5/20 0.37
F10 P00742 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
ADORA2A P29274 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
G6PD P11413 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 1/20 0.31
NOTUM Q6P988 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL5572186 0.91 BDKRB2 (0.39) BDKRB2CRHR1F10HCRTR1HCRTR2
SCHEMBL5568709 0.83 CRHR1 (0.38) BDKRB2CRHR1F10HCRTR1HCRTR2
SCHEMBL5569019 0.78 CRHR1 (0.46) BDKRB2CRHR1KDM4E
SCHEMBL5571874 0.77 CRHR1 (0.40) BDKRB2CRHR1F10HCRTR1HCRTR2
SCHEMBL5569011 0.77 GRM5 (0.38) CRHR1F10ALDH1A1KMT2A
SCHEMBL5572302 0.77 HCRTR1 (0.40) BDKRB2CRHR1HCRTR1HCRTR2KDM4E
SCHEMBL5568292 0.75 CRHR1 (0.46) CRHR1KDM4EALDH1A1RAB9A
SCHEMBL5572298 0.74 CRHR1 (0.37) BDKRB2CRHR1F10ADORA2AKDM4E
SCHEMBL5572296 0.74 CRHR1 (0.37) BDKRB2CRHR1F10ADORA2AKDM4E
SCHEMBL5252287 0.73 CRHR1 (0.47) CRHR1

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 1 patent. 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

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 BDKRB2 34/4885CRHR1 1/4885F10 1614/4885

“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.