SCHEMBL4374779

SCHEMBL4374779

CC(c1ccccc1)c1cnc(NCCc2cccs2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.50
ADORA1 P30542 6/20 0.50
ADORA3 P0DMS8 5/20 0.50
ADORA2B P29275 5/20 0.50
HTR7 P34969 2/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
FLT3 P36888 1/20 0.44
HTT P42858 1/20 0.39
IGF1R P08069 1/20 0.39
ADAM17 P78536 2/20 0.38
EPHX2 P34913 1/20 0.38
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
PKM P14618 1/20 0.36
PLK1 P53350 1/20 0.36
PDE4B Q07343 2/20 0.36

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
SCHEMBL4373099 0.83 HTR7 (0.53) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4380401 0.80 HTR7 (0.50) ADORA2AADORA1HTR7HTR2CIGF1R
SCHEMBL4377382 0.79 HTR7 (0.56) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4377313 0.78 HTR7 (0.47) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4376091 0.77 ADORA1 (0.49) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4375495 0.76 APP (0.46) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4372829 0.76 HTR7 (0.58) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4372215 0.76 AOC3 (0.44) HTR7
SCHEMBL4377737 0.74 APP (0.47) ADORA2AADORA1ADORA3ADORA2BHTR7
SCHEMBL4382836 0.71 HTR7 (0.51) HTR7

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 11 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
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 ADORA2A 37/4885ADORA1 131/4885ADORA3 95/4885

“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.