SCHEMBL4372820

SCHEMBL4372820

C[C@H](Nc1nc(N)nc(Cl)n1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.61
HTR2C P28335 3/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1A P35348 3/20 0.61
ADRA1B P35368 3/20 0.61
HTR6 P50406 2/20 0.61
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NTRK1 P04629 3/20 0.41
KCNH3 Q9ULD8 1/20 0.41
GRK6 P43250 1/20 0.40
NFKB1 P19838 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL13632663 0.85 HTR7 (0.56) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL307720 0.79 TPH1 (0.54) HTR7ADRA1DADRA1AADRA1B
SCHEMBL308850 0.79 TPH1 (0.54) HTR7ADRA1DADRA1AADRA1B
SCHEMBL1365884 0.78 NTRK1 (0.50) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL1365887 0.78 NTRK1 (0.50) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL1396058 0.78 JAK2 (0.45) NTRK1
SCHEMBL2161689 0.78 JAK2 (0.45) NTRK1
SCHEMBL7620800 0.77 COASY (0.45) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL1425222 0.77 GAA (0.72) GAATDP1KCNH3
SCHEMBL10361158 0.77 HTR7 (0.39) HTR7HTR2CADRA1DADRA1AADRA1B

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 6 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 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 1/4885HTR2C 4/4885ADRA1D 153/4885

“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.