SCHEMBL7119050

SCHEMBL7119050

CCCCCNc1nc(C)c(-c2ccc(OC)cc2OC)nc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.48
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CACNA2D1 P54289 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TLR7 Q9NYK1 2/20 0.39

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
SCHEMBL7475275 0.91 CRHR1 (0.47) CRHR1HDAC3HDAC1HDAC2CACNA2D1
SCHEMBL6202690 0.88 CRHR1 (0.46) CRHR1HDAC3HDAC1HDAC2CACNA2D1
SCHEMBL7482544 0.83 CRHR1 (0.52) CRHR1TLR7
SCHEMBL7473622 0.82 CRHR1 (0.58) CRHR1TLR7
SCHEMBL7472049 0.82 CRHR1 (0.56) CRHR1ADORA3TLR7
SCHEMBL4924779 0.81 CRHR1 (0.58) CRHR1ADORA3TLR7
SCHEMBL7478304 0.80 CRHR1 (0.41) CRHR1TLR7
SCHEMBL5423381 0.80 CRHR1 (0.67) CRHR1
SCHEMBL7606978 0.79 CRHR1 (0.59) CRHR1HDAC3HDAC1HDAC2
SCHEMBL6203377 0.79 CRHR1 (0.53) CRHR1ADORA3TLR7

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-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 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-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885HDAC3 846/4885HDAC1 897/4885

“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.