SCHEMBL3050408

SCHEMBL3050408

CC(=O)c1cc[c]c2nc(C(N)=O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.33
NNMT P40261 1/20 0.33
GRM2 Q14416 1/20 0.31
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11973236 0.78 PIM1 (0.38) PIM1NNMTGRM2IKBKB
SCHEMBL4484391 0.78 GRM2 (0.35) PIM1NNMTGRM2
SCHEMBL4473023 0.78 NNMT (0.41) PIM1NNMTGRM2IKBKBKDM4E
SCHEMBL11973850 0.75 KMT2A (0.40) PIM1GRM2
SCHEMBL5447337 0.71 GRM2 (0.35) PIM1NNMTGRM2IKBKBLIMK1
SCHEMBL1715894 0.70 ALDH1A1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19329369 0.69 PIM1 (0.49) PIM1NNMTKDM4EALDH1A1
SCHEMBL3341422 0.69 GRM2 (0.41) PIM1GRM2IKBKBLIMK1
SCHEMBL5447285 0.69 GRM2 (0.33) PIM1NNMTGRM2IKBKBLIMK1
SCHEMBL3340403 0.66 GRM2 (0.36) PIM1GRM2

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 PIM1 4687/4885NNMT 4705/4885GRM2 3649/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 PIM1 2523/4885NNMT 3884/4885GRM2 3310/4885

“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.