SCHEMBL3902852

SCHEMBL3902852

O=C1CN(C(=O)OCc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
DPP4 P27487 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
USP19 O94966 1/20 0.47
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 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
SCHEMBL29010221 0.93 CYP46A1 (0.54) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1208730 0.93 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4359832 0.91 KDM1A (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4392312 0.90 FNTA (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4387744 0.89 F2 (0.48) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6891931 0.89 CYP46A1 (0.56) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL12523823 0.88 P2RX7 (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL8386105 0.88 KMT2A (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6411056 0.87 FAAH (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL3622805 0.87 MEN1 (0.51) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098886-B Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-07-14 CN disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
EP-1539714-B1 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
EP-1539714-B1 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7399763-B2 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-07-15 US disclosed
US-7399763-B2 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-07-15 US disclosed
US-7399763-B2 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-07-15 US disclosed
EP-1549315-A4 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-05-23 EP disclosed
EP-1539714-A4 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-04-25 EP disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed
US-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-12-29 US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
EP-1539714-A2 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004047725-A2 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO. INC. (US) 2004-06-10 WO disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A SMN1; SMN2 3798/4885NPC1 4260/4885RAB9A 2836/4885
US-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors TYMP, TOP1, REV1 SMN1; SMN2 3933/4885NPC1 1278/4885RAB9A 2465/4885

“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.