SCHEMBL4072045

SCHEMBL4072045

O=C(NCc1ccccc1)c1ccc2cccnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
EGLN1 Q9GZT9 1/20 0.59
EGFR P00533 2/20 0.55
LCK P06239 1/20 0.55
MMP13 P45452 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.52
SUCNR1 Q9BXA5 1/20 0.52
NSD2 O96028 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL28042144 0.86 MAPK8 (0.51) KDM4EMEN1LMNAKMT2AEGLN1
SCHEMBL7014947 0.85 EGLN1 (0.64) KDM4EMEN1LMNAKMT2AEGLN1
SCHEMBL7010267 0.82 LMNA (0.61) KDM4EMEN1LMNAKMT2AEGLN1
SCHEMBL7018585 0.82 NPC1 (0.69) KDM4EMEN1LMNAKMT2AALDH1A1
SCHEMBL7013158 0.82 LMNA (0.53) KDM4EMEN1LMNAKMT2AALDH1A1
SCHEMBL7022295 0.81 KDM4E (0.56) KDM4EMEN1LMNAKMT2AEGLN1
SCHEMBL7017456 0.81 POLB (0.64) EGLN1EGFRMMP13ALDH1A1HPGD
SCHEMBL7016470 0.79 MEN1 (0.71) KDM4EMEN1LMNAKMT2AALDH1A1
SCHEMBL7017409 0.78 EGLN1 (0.53) KDM4EMEN1LMNAKMT2AEGLN1
SCHEMBL7022585 0.78 KDM4E (0.64) KDM4EMEN1LMNAKMT2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605614-B2 Anti-hepatitis or anti-herpes BIOCHEM PHARMA INC. (CA) 2003-08-12 US claimed
JP-2002537396-A 2002-11-05 JP claimed
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity BIOCHEM PHARMA INC. 2002-07-25 US claimed
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US claimed
EP-1155017-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Shire Biochem Inc. (CA) 2001-11-21 EP claimed
WO-2000050424-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BIOCHEM PHARMA INC. (CA) 2000-08-31 WO claimed
EP-1751155-B1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2009-01-07 EP disclosed
US-6605614-B2 Anti-hepatitis or anti-herpes BIOCHEM PHARMA INC. (CA) 2003-08-12 US disclosed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP disclosed
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity BIOCHEM PHARMA INC. 2002-07-25 US disclosed
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US disclosed
EP-1155017-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Shire Biochem Inc. (CA) 2001-11-21 EP disclosed
WO-2000050424-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BIOCHEM PHARMA INC. (CA) 2000-08-31 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-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity HAVCR2, MAVS, NTPCR KDM4E 3460/4885MEN1 4721/4885LMNA 1578/4885

“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.