SCHEMBL1905604

SCHEMBL1905604

O=C(O)c1cccnc1C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.49
NAPRT Q6XQN6 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 2/20 0.47
HNF4A P41235 1/20 0.47
PKM P14618 2/20 0.46
DHODH Q02127 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL1905601 1.00 KDM4E (0.52) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL6806101 0.90 KDM4E (0.49) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL6806097 0.90 KDM4E (0.49) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL10414536 0.87 FGF23 (0.56) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL6386356 0.87 NAPRT (0.51) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL10414535 0.87 FGF23 (0.56) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL6386359 0.87 NAPRT (0.51) KDM4ETDP1MAPTALDH1A1ALOX15
SCHEMBL4469339 0.87 SIRT2 (0.50) KDM4ETDP1MAPTALDH1A1LMNA
SCHEMBL4469336 0.87 SIRT2 (0.50) KDM4ETDP1MAPTALDH1A1LMNA
SCHEMBL9000477 0.86 KDM4E (0.55) KDM4ETDP1MAPTALDH1A1ALOX15

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
CN-101302192-B Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC 2014-01-22 CN disclosed
EP-1335726-B1 MODIFIED PRODRUG FORMS OF AP NANOTHERAPEUTICS INC (US) 2011-05-25 EP disclosed
EP-1335726-A4 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
CN-101302192-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC (US) 2008-11-12 CN disclosed
US-20050261251-A1 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-11-24 US disclosed
US-6911460-B2 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-06-28 US disclosed
EP-1335726-A1 MODIFIED PRODRUG FORMS OF AP/AMP Vion Pharmaceuticals, Inc. (US) 2003-08-20 EP disclosed
US-20020188011-A1 Antiviral agents and methods of treating viral infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-12 US disclosed
WO-2002085358-A2 ANTIVIRAL AGENTS AND METHODS OF TREATING VIRAL INFECTIONS VION PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6458816-B1 ANTICANCER AGENTS VION PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-20020119955-A1 Modified prodrug forms of AP/AMP NANOTHERAPEUTICS, INC. 2002-08-29 US disclosed
WO-2002030424-A1 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS, INC. (US) 2002-04-18 WO disclosed
CN-1256687-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC (US) 2000-06-14 CN 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 (3 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-20020188011-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP KDM4E 1927/4885TDP1 1335/4885MAPT 3684/4885
US-20020119955-A1 Modified prodrug forms of AP/AMP AP3B1, AP3D1, AP3M1 KDM4E 4331/4885TDP1 1726/4885MAPT 4855/4885
US-20050261251-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP KDM4E 1927/4885TDP1 1335/4885MAPT 3684/4885

“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.