SCHEMBL948290

SCHEMBL948290

O=C(O)c1cnn(CCCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ALKBH1 Q13686 3/20 0.49
▸ PLA2G4A P47712 1/20 0.48
▸ ALKBH2 Q6NS38 2/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TBXAS1 P24557 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42

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
SCHEMBL838950 0.91 L3MBTL1 (0.61) L3MBTL1ALKBH1PLA2G4AALKBH2HPGDS
SCHEMBL949478 0.88 HDAC6 (0.46) L3MBTL1NAMPTHDAC6KDM1ATDP1
SCHEMBL28695464 0.85 KDM4E (0.47) L3MBTL1NAMPTHDAC6KDM1ACYP4F2
SCHEMBL1946431 0.83 ALDH1A1 (0.52) L3MBTL1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL553830 0.81 L3MBTL1 (0.62) L3MBTL1ALKBH1ALKBH2HPGDSNAMPT
SCHEMBL25122939 0.80 EGLN1 (0.51) L3MBTL1ALKBH1CYP4F2CYP4A11TDP1
SCHEMBL31224806 0.80 MAOB (0.47) L3MBTL1NAMPTALDH1A1HDAC2
SCHEMBL30535495 0.79 L3MBTL1 (0.67) L3MBTL1ALKBH1PLA2G4AALKBH2HPGDS
SCHEMBL28218622 0.79 NAMPT (0.53) L3MBTL1NAMPTHDAC6KDM4EKDM6B
SCHEMBL15519990 0.78 L3MBTL1 (0.56) L3MBTL1ALKBH1PLA2G4AALKBH2HPGDS

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 — — US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 — — US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 — — US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 — — US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 — — US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 — — US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 — — US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 — — EP disclosed
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 — — US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 — — US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 — — US disclosed
CN-1585769-A A2b adenosine receptor antagonists CV THERAPEUTICS INC (US) 2005-02-23 — — CN disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 — — US disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 — — WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 — — US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 — — EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 — — US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 — — US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 — — 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 (11 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-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 L3MBTL1 2456/4885ALKBH1 1047/4885PLA2G4A 30/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 L3MBTL1 3836/4885ALKBH1 935/4885PLA2G4A 59/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 L3MBTL1 2716/4885ALKBH1 1086/4885PLA2G4A 54/4885
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 L3MBTL1 806/4885ALKBH1 661/4885PLA2G4A 4387/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885ALKBH1 3585/4885PLA2G4A 2616/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 L3MBTL1 2716/4885ALKBH1 1086/4885PLA2G4A 54/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 L3MBTL1 806/4885ALKBH1 661/4885PLA2G4A 4387/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885ALKBH1 3585/4885PLA2G4A 2616/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 L3MBTL1 2456/4885ALKBH1 1047/4885PLA2G4A 30/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885ALKBH1 3585/4885PLA2G4A 2616/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 L3MBTL1 2456/4885ALKBH1 1047/4885PLA2G4A 30/4885

“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.

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