SCHEMBL4373121

SCHEMBL4373121

Cc1nc(N)nc(N[C@@H](C)c2ccccc2)c1CCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.48
TLR7 Q9NYK1 5/20 0.48
HTR7 P34969 3/20 0.45
APP P05067 1/20 0.44
LDHA P00338 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NUDT1 P36639 1/20 0.41
PLK1 P53350 1/20 0.40
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.38
LDHB P07195 1/20 0.38

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
SCHEMBL4376521 0.87 TLR8 (0.48) TLR8TLR7HTR7APPLDHA
SCHEMBL4383095 0.85 TLR7 (0.49) TLR8TLR7HTR7APPLDHA
SCHEMBL4383409 0.85 TLR8 (0.46) TLR8TLR7HTR7LDHANUDT1
SCHEMBL4375604 0.83 TLR8 (0.53) TLR8TLR7HTR7APPLDHA
SCHEMBL7014065 0.83 HTR7 (0.47) HTR7APPLDHAMEN1KMT2A
SCHEMBL4374959 0.83 NPC1 (0.45) TLR8TLR7HTR7LDHAMEN1
SCHEMBL4380761 0.81 TLR8 (0.51) TLR8TLR7HTR7APPLDHA
SCHEMBL4372273 0.81 TLR8 (0.46) TLR8TLR7HTR7APPLDHA
SCHEMBL4373103 0.81 HTR7 (0.43) HTR7APPLDHAMEN1KMT2A
SCHEMBL4375697 0.80 TLR7 (0.49) TLR8TLR7HTR7APPMEN1

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
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO 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
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A TLR8 638/4885TLR7 128/4885HTR7 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.