SCHEMBL4376798

SCHEMBL4376798

COc1ccc(CCc2c(C)nc(N)nc2N[C@@H](C)c2ccccc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TLR7 Q9NYK1 7/20 0.42
EGFR P00533 4/20 0.42
SOS1 Q07889 2/20 0.42
TLR8 Q9NR97 2/20 0.42
KRAS P01116 1/20 0.42
APP P05067 2/20 0.42
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
KDR P35968 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
SCHEMBL7014716 0.85 ALDH1A1 (0.41) ALDH1A1GAAPKMEGFRSOS1
SCHEMBL4375697 0.84 TLR7 (0.49) ALDH1A1TLR7EGFRTLR8APP
SCHEMBL4383095 0.83 TLR7 (0.49) TLR7EGFRTLR8APPLDHA
SCHEMBL4376521 0.83 TLR8 (0.48) ALDH1A1TLR7EGFRSOS1TLR8
SCHEMBL4372273 0.83 TLR8 (0.46) ALDH1A1TLR7EGFRSOS1TLR8
SCHEMBL4375549 0.82 TLR7 (0.52) TLR7EGFRSOS1TLR8KRAS
SCHEMBL4387855 0.82 DHFR (0.46) TLR7EGFRSOS1TLR8KRAS
SCHEMBL4375604 0.81 TLR8 (0.53) TLR7EGFRTLR8APPLDHA
SCHEMBL4380761 0.79 TLR8 (0.51) TLR7EGFRTLR8APPLDHA
SCHEMBL4373121 0.79 TLR8 (0.48) TLR7EGFRTLR8APPLDHA

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 5 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
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 ALDH1A1 2221/4885GAA 4743/4885PKM 4125/4885

“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.