SCHEMBL6402995

SCHEMBL6402995

CCN(CC)C1CCN(CCC[O])C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
BCHE P06276 5/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL6402997 0.83 HRH3 (0.37) HRH3BCHEJAK2JAK1HRH2
SCHEMBL5663352 0.82 HRH3 (0.46) HRH3BCHEJAK2JAK1HRH2
SCHEMBL12841915 0.82 MEN1 (0.41) KMT2A
SCHEMBL8441895 0.77 SMN1; SMN2 (0.35) HRH3KMT2A
SCHEMBL13456547 0.74 KMT2A (0.35) KMT2A
SCHEMBL3939592 0.74 ADH1C (0.32) KMT2A
SCHEMBL2116542 0.73 GNAO1 (0.36) BCHEGNAI3GNAO1GNAI1
SCHEMBL26498841 0.73 GNAO1 (0.55) BCHEKMT2AGNAI3GNAO1GNAI1
SCHEMBL2115304 0.72 SIGMAR1 (0.41) HRH3KMT2A
SCHEMBL2116364 0.71 BCHE (0.33) HRH3BCHEGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HRH3 673/4885BCHE 3544/4885JAK2 7/4885

“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.