SCHEMBL4372273

SCHEMBL4372273

COc1cc(CCc2c(C)nc(N)nc2N[C@@H](C)c2ccccc2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.46
TLR7 Q9NYK1 4/20 0.46
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
NUDT1 P36639 1/20 0.41
EGFR P00533 4/20 0.41
SOS1 Q07889 2/20 0.41
KRAS P01116 1/20 0.41
HTR7 P34969 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDR P35968 2/20 0.39
LDHA P00338 1/20 0.39
ZAP70 P43403 2/20 0.39
KARS1 Q15046 1/20 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
SCHEMBL4383095 0.92 TLR7 (0.49) TLR8TLR7EGFRHTR7ADRA1D
SCHEMBL4375697 0.90 TLR7 (0.49) TLR8TLR7EGFRHTR7ADRA1D
SCHEMBL4387855 0.84 DHFR (0.46) TLR8TLR7EGFRSOS1KRAS
SCHEMBL4375604 0.83 TLR8 (0.53) TLR8TLR7NUDT1EGFRHTR7
SCHEMBL7007986 0.83 HTR7 (0.43) AURKARPS6KB1EGFRSOS1KRAS
SCHEMBL4376798 0.83 ALDH1A1 (0.43) TLR8TLR7EGFRSOS1KRAS
SCHEMBL4375549 0.82 TLR7 (0.52) TLR8TLR7NUDT1EGFRSOS1
SCHEMBL4380761 0.81 TLR8 (0.51) TLR8TLR7NUDT1EGFRHTR7
SCHEMBL4373121 0.81 TLR8 (0.48) TLR8TLR7NUDT1EGFRHTR7
SCHEMBL4376521 0.81 TLR8 (0.48) TLR8TLR7NUDT1EGFRSOS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A TLR8 638/4885TLR7 128/4885AURKA 2955/4885

“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.