SCHEMBL4377934

SCHEMBL4377934

Nc1nc(NCCc2ccccc2)nc(NCc2ccccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.54
ACKR3 P25106 2/20 0.54
CDK9 P50750 1/20 0.53
HTR7 P34969 4/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR6 P50406 2/20 0.51
APP P05067 2/20 0.50
HDAC1 Q13547 1/20 0.50
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA2A P29274 1/20 0.45
GPR68 Q15743 1/20 0.45

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
SCHEMBL14869738 0.84 HRH4 (0.53) HTR2BHTR7HTR1ADRD2HTR2A
SCHEMBL2451092 0.82 APP (0.64) HTR2BACKR3CDK9HTR7APP
SCHEMBL14869438 0.79 HTR7 (0.60) HTR2BACKR3CDK9HTR7HTR6
SCHEMBL29609013 0.79 HTR7 (0.60) HTR2BACKR3CDK9HTR7HTR6
SCHEMBL22151175 0.77 APP (0.64) HTR1AAPPLMNAADORA2A
SCHEMBL14869762 0.77 HRH4 (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL1938196 0.76 HTR7 (0.56) HTR2BACKR3CDK9HTR7APP
SCHEMBL4376781 0.74 APP (0.49) HTR2BACKR3APPHDAC1ADORA2A
SCHEMBL14869876 0.74 HRH4 (0.48) HTR2BLMNACA1CA2CA9
SCHEMBL6727019 0.74 NPSR1 (0.74) HTR2BHTR1AAPPCA1CA2

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 9 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-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 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 HTR2B 5/4885ACKR3 462/4885CDK9 640/4885

“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.