SCHEMBL3038786

SCHEMBL3038786

COc1c[c]c2nc(C(N)=O)c(Br)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
IKBKB O14920 2/20 0.35
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 2/20 0.33
PARP10 Q53GL7 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
PLAU P00749 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4482433 0.74 APP (0.43) KDM4ECYP11B1CYP11B2HPGDSALDH1A1
SCHEMBL26910313 0.69 MKNK1 (0.43) KDM4EIKBKBTSHRAPOBEC3AHTT
SCHEMBL3341732 0.63 NNMT (0.53) IKBKBTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL11532746 0.63 PARP1 (0.40) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL1638474 0.63 CYP3A4 (0.37) KDM4EALDH1A1GAACA1CA2
SCHEMBL28963815 0.62 CYP1A2 (0.36) KDM4ETSHRHTTALDH1A1CA2
SCHEMBL28491736 0.61 POLB (0.44) KDM4EIKBKBTSHRAPOBEC3AHTT
SCHEMBL3355718 0.60 PARP1 (0.40) KDM4ECYP11B1CYP11B2HPGDSALDH1A1
SCHEMBL30667999 0.60 NNMT (0.44) KDM4ETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL2874550 0.60 IKBKB (0.53) KDM4EIKBKBALDH1A1GAARAB9A

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 KDM4E 4777/4885IKBKB 3677/4885TSHR 132/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 KDM4E 274/4885IKBKB 191/4885TSHR 2266/4885

“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.