SCHEMBL3045289

SCHEMBL3045289

NC(=O)c1nc2[c]cccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.36
CYP3A4 P08684 1/20 0.34
PARP2 Q9UGN5 3/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
PRKX P51817 1/20 0.33
PRKCZ Q05513 1/20 0.33

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
SCHEMBL7019202 0.80 PKN1 (0.36) PKN1PKN2
SCHEMBL5525401 0.73
SCHEMBL3499660 0.73 NUDT1 (0.48) PIM1CAMK2GDYRK1A
SCHEMBL29688264 0.72 AURKA (0.59) CYP3A4PIM1PRKACAGSK3AROCK1
SCHEMBL828618 0.72 AURKA (0.59) CYP3A4PIM1PRKACAGSK3AROCK1
SCHEMBL3281338 0.71 PLAUR (0.54) PARP1
Hydrochloric Acid SCHEMBL5008172 0.70 AURKA (0.58) CYP3A4PIM1PRKACAGSK3AROCK1
Hydrochloric Acid SCHEMBL2674335 0.70 AURKA (0.58) CYP3A4PIM1PRKACAGSK3AROCK1
SCHEMBL7025568 0.70 LMNA (0.59) CYP3A4
SCHEMBL211307 0.69 ALDH1A1 (0.43) PARP1DHODH

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US claimed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100022565-A1 PHARMACEUTICAL COMPOSITIONS BUHL THOMAS 2010-01-28 US disclosed
EP-2124893-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT Novartis AG (CH) 2009-12-02 EP disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2008107390-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT NOVARTIS AG (CH) 2008-09-12 WO disclosed
EP-1964548-A1 Pharmaceutical compositions comprising a calcilytic agent Novartis AG (CH) 2008-09-03 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 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-20100022565-A1 PHARMACEUTICAL COMPOSITIONS PTH1R, CALCA, CALCR PARP1 4442/4885CYP3A4 2133/4885PARP2 4420/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 PARP1 2516/4885CYP3A4 550/4885PARP2 2963/4885

“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.