SCHEMBL5486946

SCHEMBL5486946

CO[C@H]1CCN(c2nc(C)nc3cc(Br)ccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.44
ENPP1 P22413 1/20 0.44
MAOB P27338 2/20 0.40
NTSR1 P30989 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TP53 P04637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
PDE10A Q9Y233 6/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5486950 1.00 HRH4 (0.44) HRH4ENPP1MAOBNTSR1MEN1
Hydrochloric Acid SCHEMBL5490214 0.99 HRH4 (0.44) HRH4ENPP1MAOBNTSR1MEN1
Hydrochloric Acid SCHEMBL5490207 0.99 HRH4 (0.44) HRH4ENPP1MAOBNTSR1MEN1
SCHEMBL5485646 0.87 HRH4 (0.42) HRH4ENPP1MAOBMEN1KMT2A
SCHEMBL5485648 0.87 HRH4 (0.42) HRH4ENPP1MAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL5485950 0.86 HRH4 (0.41) HRH4ENPP1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL5485955 0.86 HRH4 (0.41) HRH4ENPP1MEN1KMT2ATP53
SCHEMBL5405062 0.78 HRH4 (0.57) HRH4ENPP1MEN1KMT2A
SCHEMBL5412125 0.78 MEN1 (0.60) HRH4MEN1KMT2A
SCHEMBL5403899 0.77 MEN1 (0.62) HRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 HRH4 529/4885ENPP1 4421/4885MAOB 910/4885

“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.