SCHEMBL5486348

SCHEMBL5486348

CCOC1CCN(c2nc(C)nc3cc(OCc4ccccc4)ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.43
KIT P10721 1/20 0.42
CYP3A4 P08684 1/20 0.40
PARP14 Q460N5 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MCHR1 Q99705 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
PDE10A Q9Y233 3/20 0.38
NPY5R Q15761 1/20 0.38
MAOB P27338 1/20 0.38
ABL1 P00519 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
ACACB O00763 2/20 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
SCHEMBL5486343 1.00 ENPP1 (0.43) ENPP1KITCYP3A4PARP14MEN1
SCHEMBL5486775 0.88 PDE3B (0.43) ENPP1KITCYP3A4PDE3BPDE3A
SCHEMBL5486776 0.88 PDE3B (0.43) ENPP1KITCYP3A4PDE3BPDE3A
SCHEMBL5485947 0.85 ENPP1 (0.47) ENPP1KITCYP3A4PARP14MEN1
SCHEMBL5485939 0.85 ENPP1 (0.47) ENPP1KITCYP3A4PARP14MEN1
Hydrochloric Acid SCHEMBL5035823 0.84 CHRM4 (0.42) KITPARP14MEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL5035821 0.84 CHRM4 (0.42) KITPARP14MEN1KMT2AHSP90AA1
SCHEMBL5484991 0.82 ENPP1 (0.44) ENPP1MEN1KMT2APDE3BPDE3A
SCHEMBL5484986 0.82 ENPP1 (0.44) ENPP1MEN1KMT2APDE3BPDE3A
SCHEMBL5491074 0.82 MEN1 (0.57) ENPP1KITCYP3A4MEN1KMT2A

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 ENPP1 4421/4885KIT 2747/4885CYP3A4 33/4885

“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.