SCHEMBL7010262

SCHEMBL7010262

COc1cccc(CNC(=O)c2ccc3ncccc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
HPGD P15428 1/20 0.59
MMP13 P45452 6/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
PRKACA P17612 2/20 0.54
PRKX P51817 2/20 0.54
PRKCQ Q04759 2/20 0.54
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
GRK5 P34947 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL13784452 0.90 ROCK1 (0.56) KMT2AHPGDMMP13LMNATP53
SCHEMBL13784541 0.89 MMP13 (0.49) KMT2AHPGDMMP13LMNATP53
SCHEMBL13784545 0.89 MMP13 (0.49) KMT2AHPGDMMP13LMNATP53
SCHEMBL13784441 0.89 MMP13 (0.48) KMT2AHPGDMMP13LMNATP53
SCHEMBL13784543 0.88 ROCK2 (0.58) KMT2AHPGDMMP13LMNATP53
SCHEMBL1681517 0.88 POLB (0.53) KMT2AMMP13LMNAMAPTMEN1
SCHEMBL7014944 0.87 RAB9A (0.58) KMT2AHPGDLMNAMAPTCYP3A4
SCHEMBL13784438 0.87 CYP2D6 (0.52) KMT2AHPGDMMP13LMNAMAPT
SCHEMBL13491702 0.87 MMP13 (0.51) KMT2AHPGDMMP13LMNATP53
SCHEMBL13491685 0.86 MMP13 (0.55) KMT2AHPGDMMP13LMNAMAPT

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
WO-2009093637-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 WO 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 KMT2A 4352/4885HPGD 2006/4885MMP13 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.