SCHEMBL5491050

SCHEMBL5491050

Cc1nc(N2CCCC2)c2ccc(NCc3ccccc3Cl)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 4/20 0.46
THRB P10828 3/20 0.46
TP53 P04637 3/20 0.46
NPY5R Q15761 2/20 0.45
GAA P10253 2/20 0.44
ABCB1 P08183 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 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
SCHEMBL5486382 0.89 MEN1 (0.52) MEN1KMT2AALOX15MAPTNPY5R
SCHEMBL5022538 0.83 NCF1 (0.53) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL5489231 0.78 MEN1 (0.50) MEN1KMT2ANPY5RL3MBTL1
SCHEMBL5485963 0.78 MEN1 (0.50) MEN1KMT2ANPY5RL3MBTL1
SCHEMBL5495832 0.77 MEN1 (0.49) MEN1KMT2ANPY5RL3MBTL1
SCHEMBL22911938 0.76 MEN1 (0.57) MEN1KMT2ANPY5RSMN1; SMN2KDM4E
SCHEMBL5028660 0.73 NCF1 (0.51) MEN1KMT2ALMNANPY5RSMN1; SMN2
SCHEMBL5028620 0.72 NCF1 (0.55) MEN1KMT2ALMNANPY5RHRH4
SCHEMBL5486783 0.71 KMT2A (0.51) MEN1KMT2ALMNAALOX15MAPT
SCHEMBL13992609 0.70 MEN1 (0.94) MEN1KMT2ALMNAMAPTTP53

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 1664/4885LMNA 2884/4885

“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.