SCHEMBL4377313

SCHEMBL4377313

CC(c1ccccc1)c1cnc(NCCc2cccnc2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
OGA O60502 1/20 0.45
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
APP P05067 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
GBA1 P04062 1/20 0.41
TMIGD3 P0DMS9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL4373099 0.91 HTR7 (0.53) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4377382 0.84 HTR7 (0.56) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4375495 0.83 APP (0.46) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4372829 0.83 HTR7 (0.58) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4380401 0.82 HTR7 (0.50) HTR7OGAADORA2AADORA1IGF1R
SCHEMBL4377737 0.80 APP (0.47) HTR7MKNK2ADORA2AADORA2BADORA1
SCHEMBL4374779 0.78 ADORA2A (0.50) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4376850 0.76 APP (0.52) HTR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL4372215 0.76 AOC3 (0.44) HTR7
SCHEMBL4382987 0.76 HTR7 (0.83) HTR7MKNK1MKNK2OGAMAPK8

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 HTR7 1/4885MKNK1 3609/4885MKNK2 3165/4885

“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.