SCHEMBL5490225

SCHEMBL5490225

Cc1nc(N2CCCC2)c2ccc(N)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH4 Q9H3N8 3/20 0.48
NPY5R Q15761 10/20 0.48
PIK3CA P42336 1/20 0.47
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44

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
SCHEMBL5406200 0.85 MEN1 (0.54) MEN1KMT2AHRH4NPY5RPRKDC
SCHEMBL5395227 0.84 MEN1 (0.56) MEN1KMT2AHRH4NPY5RPRKDC
SCHEMBL5412125 0.82 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5491482 0.82 MEN1 (0.60) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL10817740 0.81 KDM4E (0.51) MAPK1HSD17B10L3MBTL1HRH4PIK3CA
SCHEMBL22911885 0.81 NPY5R (0.47) MEN1KMT2AHRH4NPY5RPIK3CA
SCHEMBL28730064 0.81 HRH4 (0.46) MEN1KMT2AHRH4PIK3CA
SCHEMBL22911951 0.81 HRH4 (0.46) MEN1KMT2AHRH4PIK3CA
SCHEMBL5403899 0.81 MEN1 (0.62) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL5400137 0.81 MEN1 (0.62) 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 10 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
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP claimed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US claimed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 US disclosed
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed
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 (2 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
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 MEN1 2487/4885KMT2A 985/4885MAPK1 381/4885

“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.