SCHEMBL7017456

SCHEMBL7017456

O=C(NCc1ccccc1)c1ccc2ncccc2n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
NSD2 O96028 1/20 0.61
MMP13 P45452 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
EGFR P00533 1/20 0.50
MAPK8 P45983 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL13491586 0.95 POLB (0.59) POLBNSD2MMP13ALDH1A1HPGD
SCHEMBL13491517 0.95 POLB (0.59) POLBNSD2MMP13ALDH1A1HPGD
SCHEMBL2357356 0.89 POLB (0.54) POLBNSD2ALDH1A1NPC1RAB9A
SCHEMBL13491579 0.89 POLB (0.56) POLBNSD2MMP13ALDH1A1HPGD
SCHEMBL13491697 0.89 MAPK8 (0.54) POLBNSD2MMP13HPGDHTT
SCHEMBL13491655 0.88 KMT2A (0.55) POLBNSD2HTTEGLN1L3MBTL1
SCHEMBL161690 0.88 NAMPT (0.64) POLB
SCHEMBL1681445 0.88 LMNA (0.53) POLBNSD2ALDH1A1MAPK8
SCHEMBL1681517 0.86 POLB (0.53) POLBNSD2MMP13ALDH1A1RAB9A
SCHEMBL13491641 0.85 POLB (0.54) POLBNSD2MMP13ALDH1A1RAB9A

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 14 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
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US 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 (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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX POLB 3555/4885NSD2 1251/4885MMP13 2803/4885
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity HAVCR2, MAVS, NTPCR POLB 329/4885NSD2 661/4885MMP13 2872/4885

“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.