SCHEMBL5095756

SCHEMBL5095756

Cc1ccccc1CNC(=O)c1ccc2cnccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SCN10A Q9Y5Y9 4/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SCN2A Q99250 3/20 0.50
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL6634510 0.86 NPC1 (0.56) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5101791 0.85 KMT2A (0.60) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5095610 0.85 NPC1 (0.77) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5090143 0.85 NPC1 (0.55) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL6635814 0.84 MEN1 (0.52) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5095592 0.84 MEN1 (0.78) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL6637587 0.83 KMT2A (0.57) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5096125 0.82 MEN1 (0.61) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5090132 0.82 TRPV1 (0.56) CTSANPC1RAB9AMEN1KMT2A
SCHEMBL5090202 0.82 HDAC3 (0.63) CTSAHDAC3HDAC1HDAC2HPGD

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 16 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
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US 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 CTSA 3764/4885NPC1 637/4885RAB9A 2097/4885
US-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 CTSA 711/4885NPC1 1407/4885RAB9A 926/4885

“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.