SCHEMBL5533539

SCHEMBL5533539

CCCCCNc1nc(CC)c(-c2ccc(C)cc2C(F)(F)F)nc1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.57
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LIMK1 P53667 1/20 0.33

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
SCHEMBL7472935 0.89 CRHR1 (0.56) CRHR1
SCHEMBL7474850 0.86 CRHR1 (0.46) CRHR1TLR8TLR7
SCHEMBL7478694 0.83 CRHR1 (0.69) CRHR1LIMK1
SCHEMBL5421029 0.81 CRHR1 (0.81) CRHR1
SCHEMBL7484320 0.81 CRHR1 (0.50) CRHR1TLR8TLR7
SCHEMBL7472159 0.81 CRHR1 (0.54) CRHR1
SCHEMBL7481208 0.79 CRHR1 (0.48) CRHR1KDM4EALDH1A1HPGD
SCHEMBL7482439 0.78 CRHR1 (0.53) CRHR1
SCHEMBL7606978 0.78 CRHR1 (0.59) CRHR1
SCHEMBL7481401 0.78 CRHR1 (0.65) CRHR1TLR7ALDH1A1

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-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885TLR8 1197/4885TLR7 495/4885

“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.