SCHEMBL5101918

SCHEMBL5101918

O=C(NCc1ccc(Cl)cc1)c1ccc2cnccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
TSHR P16473 1/20 0.56
TRPV1 Q8NER1 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NAMPT P43490 1/20 0.50
CTSA P10619 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 1/20 0.48
SCN9A Q15858 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5101919 0.89 HDAC3 (0.65) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL5093508 0.87 MAPT (0.58) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL5093565 0.87 HDAC3 (0.64) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL5095647 0.87 HDAC3 (0.67) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL5101866 0.87 HDAC3 (0.64) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL5090202 0.86 HDAC3 (0.63) HPGDHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL5101898 0.85 NPC1 (0.61) HDAC3HDAC1HDAC2SMN1; SMN2CTSA
SCHEMBL5101996 0.84 RAB9A (0.66) CYP1A2CYP2C9HPGDCYP2C19HDAC3
SCHEMBL5101888 0.84 HDAC1 (0.63) HDAC3HDAC1HDAC2TRPV1SMN1; SMN2
SCHEMBL5095582 0.83 POLB (0.67) HPGDNPSR1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 CN claimed
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 WO disclosed
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP disclosed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP disclosed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 CN disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
US-5945431-A VIRICIDE BIOCHEM THERAPEUTICS INCORPORATED (CA) 1999-08-31 US disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 CYP1A2 470/4885CYP2C9 2680/4885HPGD 427/4885
US-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 CYP1A2 1631/4885CYP2C9 2000/4885HPGD 3414/4885

“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.