SCHEMBL5486974

SCHEMBL5486974

Cc1nc(N2CCCC2)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
HRH3 Q9Y5N1 3/20 0.47
NPY5R Q15761 3/20 0.45
MAOA P21397 2/20 0.44
CYP3A4 P08684 1/20 0.44
PRKDC P78527 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
ENPP1 P22413 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL5484958 0.88 MEN1 (0.42) NPY5RPRKDCKDM4EMEN1KMT2A
SCHEMBL5494681 0.86 MEN1 (0.48) NPY5RPRKDCKDM4EMEN1KMT2A
SCHEMBL5491074 0.86 MEN1 (0.57) NPY5RCYP3A4MEN1KMT2AENPP1
Hydrochloric Acid SCHEMBL5485971 0.85 ENPP1 (0.43) MAOBHRH3MAOACYP3A4PRKDC
Hydrochloric Acid SCHEMBL5485968 0.85 ENPP1 (0.43) MAOBHRH3MAOACYP3A4PRKDC
Hydrochloric Acid SCHEMBL5493398 0.85 MEN1 (0.50) NPY5RPRKDCKDM4EMEN1KMT2A
SCHEMBL5486775 0.83 PDE3B (0.43) MAOBHRH3MAOACYP3A4PRKDC
SCHEMBL5486776 0.83 PDE3B (0.43) MAOBHRH3MAOACYP3A4PRKDC
SCHEMBL5036075 0.83 MAOB (0.47) MAOBHRH3MAOACYP3A4PRKDC
SCHEMBL5035944 0.82 HRH3 (0.48) MAOBHRH3MAOACYP3A4PRKDC

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-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US claimed
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 MAOB 910/4885HRH3 1196/4885NPY5R 360/4885

“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.