SCHEMBL5464950

SCHEMBL5464950

[O]CCCC1CCCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
HRH4 Q9H3N8 2/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.40
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A2 P05177 1/20 0.34
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL1097000 0.94 HRH3 (0.51) HRH3HRH4KMT2ANAAACPN1
SCHEMBL5663061 0.88 HRH3 (0.46) HRH3HRH4KMT2ANAAACPN1
SCHEMBL5472346 0.88 KMT2A (0.42) HRH3HRH4KMT2ANAAACPN1
SCHEMBL4008766 0.85
SCHEMBL1097819 0.81
SCHEMBL7704486 0.81 HRH3 (0.53) HRH3HRH4KMT2ANAAACPN1
SCHEMBL21184639 0.80 SIGMAR1 (0.50) HRH3HRH4KMT2ANAAACPN1
SCHEMBL4654680 0.80 HRH3 (0.43) HRH3HRH4KMT2ANAAACPN1
SCHEMBL4449152 0.79 KMT2A (0.42) HRH3HRH4KMT2ANAAACPN1
SCHEMBL5254311 0.79 SLC6A1 (0.45) HRH3HRH4KMT2ANAAASLC6A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HRH3 673/4885HRH4 493/4885KMT2A 1693/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HRH3 1200/4885HRH4 668/4885KMT2A 1786/4885

“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.