SCHEMBL5489231

SCHEMBL5489231

Cc1nc(N2CCCC2)c2ccc(NCC(C)(C)C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY5R Q15761 14/20 0.40
ENPP1 P22413 1/20 0.40
MAP2K7 O14733 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5485963 0.83 MEN1 (0.50) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5495832 0.82 MEN1 (0.49) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL22911938 0.82 MEN1 (0.57) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5025329 0.81 NCF1 (0.53) MEN1KMT2AMAPK1
SCHEMBL5486382 0.79 MEN1 (0.52) MEN1KMT2AMAPK1L3MBTL1NPY5R
SCHEMBL5491050 0.78 MEN1 (0.50) MEN1KMT2AL3MBTL1NPY5R
SCHEMBL5486783 0.77 KMT2A (0.51) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5485920 0.74 KMT2A (0.48) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5491482 0.73 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5490225 0.73 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1

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 1664/4885MAPK1 1442/4885

“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.