SCHEMBL5486382

SCHEMBL5486382

Cc1nc(N2CCCC2)c2ccc(NCc3ccccc3C)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KIT P10721 1/20 0.43
NPY5R Q15761 11/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL5491050 0.89 MEN1 (0.50) MEN1KMT2ANPY5RHRH4HRH3
SCHEMBL5028620 0.82 NCF1 (0.55) MEN1KMT2AKITNPY5RHRH4
SCHEMBL5485963 0.79 MEN1 (0.50) MEN1KMT2ANPY5RCYP1A2MAPK1
SCHEMBL5489231 0.79 MEN1 (0.50) MEN1KMT2ANPY5RCYP1A2MAPK1
SCHEMBL5495832 0.78 MEN1 (0.49) MEN1KMT2ANPY5RMAPK1L3MBTL1
SCHEMBL22911938 0.78 MEN1 (0.57) MEN1KMT2ANPY5RKDM4EMAPK1
SCHEMBL5024407 0.74 NCF1 (0.50) MEN1KMT2ANPY5RKDM4EMAPT
SCHEMBL5486783 0.73 KMT2A (0.51) MEN1KMT2ANPY5RCYP1A2KDM4E
SCHEMBL13992609 0.72 MEN1 (0.94) MEN1KMT2ANPY5RCYP1A2KDM4E
SCHEMBL5492423 0.72 PIK3CA (0.56) MEN1KMT2AKITNPY5RCYP1A2

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 disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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 (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 MEN1 1326/4885KMT2A 1664/4885KIT 2747/4885

“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.