SCHEMBL7013261

SCHEMBL7013261

COc1cc(OC)c(CNC(=O)c2ccc3ncccc3n2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NOD2 Q9HC29 1/20 0.50
PTPN1 P18031 1/20 0.48
PKM P14618 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 1/20 0.42
NPC1 O15118 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL7014019 0.87 TSHR (0.59) MEN1KMT2ANOD2PKMALDH1A1
SCHEMBL7013264 0.84 EGLN1 (0.48) MEN1KMT2ANOD2PTPN1PKM
SCHEMBL7014944 0.83 RAB9A (0.58) MEN1KMT2ANOD2EGLN1POLB
SCHEMBL7010262 0.82 KMT2A (0.59) MEN1KMT2ANOD2MAPT
SCHEMBL7016468 0.82 MEN1 (0.74) MEN1KMT2ANOD2POLBALDH1A1
SCHEMBL7020854 0.79 MEN1 (0.60) MEN1KMT2ANOD2POLBALDH1A1
SCHEMBL13781698 0.78 MEN1 (0.59) MEN1KMT2ANOD2POLBALDH1A1
SCHEMBL13784452 0.75 ROCK1 (0.56) MEN1KMT2ANOD2POLBALDH1A1
SCHEMBL7017456 0.74 POLB (0.64) PTPN1EGLN1POLBALDH1A1RAB9A
SCHEMBL13784545 0.74 MMP13 (0.49) MEN1KMT2ANOD2POLBALDH1A1

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 7 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
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
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

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 MEN1 4721/4885KMT2A 4352/4885NOD2 1223/4885

“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.