SCHEMBL69342

SCHEMBL69342

COC(=O)c1cncc(C(=O)OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LCK P06239 1/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 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
SCHEMBL27881336 0.92 KDM4E (0.49) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL16369769 0.92 MRGPRX4 (0.43) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL24993601 0.88 MRGPRX4 (0.42) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL162103 0.87 MRGPRX4 (0.43) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL1571163 0.87 MRGPRX4 (0.43) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL30419529 0.87 ATM (0.47) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL12094161 0.87 ATM (0.47) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL17440722 0.86 MRGPRX4 (0.43) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL18038148 0.86 ALDH1A1 (0.43) MAPK1ATMNPSR1MRGPRX4ALDH1A1
SCHEMBL1134502 0.86 MRGPRX4 (0.49) MAPK1ATMNPSR1MRGPRX4ALDH1A1

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
CN-107771176-A The inhibitor of human immunodeficiency virus replication VIIV保健英国第五有限公司 2018-03-06 CN disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP disclosed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 MAPK1 3382/4885ATM 3268/4885NPSR1 2736/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E MAPK1 2073/4885ATM 2973/4885NPSR1 4685/4885

“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.