SCHEMBL4374953

SCHEMBL4374953

CC(Nc1nc(N)ncc1CCc1cccc(O)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
EGFR P00533 4/20 0.47
KDR P35968 3/20 0.47
LDHB P07195 9/20 0.43
LDHA P00338 9/20 0.43
HTR7 P34969 1/20 0.41
NUDT1 P36639 1/20 0.39
ADORA1 P30542 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
SCHEMBL4373030 0.90 HTR7 (0.49) EGFRKDRLDHBLDHAHTR7
SCHEMBL4382847 0.89 EGFR (0.46) EGFRKDRLDHBLDHAHTR7
SCHEMBL4373103 0.88 HTR7 (0.43) EGFRKDRLDHBLDHAHTR7
SCHEMBL4375753 0.88 APP (0.42) EGFRKDRLDHBLDHAHTR7
SCHEMBL4375524 0.88 BACE1 (0.44) KDRLDHBLDHAHTR7NUDT1
SCHEMBL4379483 0.86 DHFR (0.52) DHFREGFRADORA1
SCHEMBL4376778 0.85 PLK1 (0.42) EGFRLDHBLDHAHTR7
SCHEMBL4376334 0.84 LDHB (0.44) EGFRKDRLDHBLDHAHTR7
SCHEMBL4374821 0.83 HTR7 (0.43) KDRLDHBLDHAHTR7NUDT1
SCHEMBL4374843 0.82 HTR7 (0.42) EGFRKDRLDHBLDHAHTR7

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 DHFR 681/4885EGFR 2920/4885KDR 1640/4885

“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.