SCHEMBL5457364

SCHEMBL5457364

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.64
HTR1B P28222 10/20 0.64
HTR2A P28223 7/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TDP1 Q9NUW8 5/20 0.64
SLC6A4 P31645 4/20 0.64
MAPK1 P28482 4/20 0.64
TP53 P04637 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 3/20 0.64
HTR2C P28335 3/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
CYP2C19 P33261 2/20 0.64
THPO P40225 2/20 0.64
HSD17B10 Q99714 2/20 0.64
HTR1A P08908 2/20 0.64
HTR3E A5X5Y0 1/20 0.64

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
SCHEMBL8302018 0.80 HTR1D (0.82) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL8307059 0.78 HTR1D (0.65) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL5452408 0.78 MEN1 (0.59) HTR1DHTR1BHTR2AMEN1KMT2A
SCHEMBL5450910 0.78 MEN1 (0.48) MEN1KMT2AMAPK1LMNAHPGD
Gr-127935 SCHEMBL7795263 0.78 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
Gr-127935 SCHEMBL29462286 0.78 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
Gr-127935 SCHEMBL6017123 0.77 MEN1 (1.00) HTR1DHTR1BHTR2AMAPTMEN1
Gr-127935 SCHEMBL29657121 0.77 MEN1 (1.00) HTR1DHTR1BHTR2AMAPTMEN1
Formamide SCHEMBL9090689 0.76 HTR1D (0.69) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL5459678 0.76 LMNA (0.48) MAPTMEN1KMT2AMAPK1CYP2C9

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
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTR1D 2/4885HTR1B 1/4885HTR2A 10/4885

“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.