Sugi Predict

Sugi Predict / Compounds / SCHEMBL951879

SCHEMBL951879

SCHEMBL951879

O=C(O)c1cnn(Cc2cccc(F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ALKBH1 Q13686 1/20 0.56
▸ KLKB1 P03952 1/20 0.54
▸ SCD O00767 13/20 0.53
▸ SCD5 Q86SK9 10/20 0.53
▸ KDM4C Q9H3R0 1/20 0.52
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ NR4A2 P43354 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
SCHEMBL27379738 0.85 L3MBTL1 (0.51) POLBTDP1L3MBTL1ALKBH1KLKB1
SCHEMBL27435793 0.84 L3MBTL1 (0.61) POLBTDP1L3MBTL1KLKB1HTT
SCHEMBL4674992 0.84 KLKB1 (0.48) POLBTDP1L3MBTL1KLKB1SCD
SCHEMBL553830 0.84 L3MBTL1 (0.62) POLBTDP1L3MBTL1ALKBH1KLKB1
SCHEMBL15154988 0.83 L3MBTL1 (0.60) POLBTDP1L3MBTL1ALKBH1KLKB1
SCHEMBL4017203 0.83 L3MBTL1 (0.60) POLBTDP1L3MBTL1KLKB1SCD
SCHEMBL14692463 0.83 L3MBTL1 (0.71) POLBTDP1L3MBTL1ALKBH1KLKB1
SCHEMBL243561 0.83 POLB (0.56) POLBTDP1L3MBTL1SCD5KDM4C
SCHEMBL949903 0.82 HSD17B10 (0.61) POLBTDP1L3MBTL1ALKBH1KLKB1
SCHEMBL4767882 0.82 GRM2 (0.56) POLBTDP1L3MBTL1KLKB1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 — — US claimed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 — — US claimed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 — — US claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 — — EP claimed
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 — — EP claimed
CN-100467469-C A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2009-03-11 — — CN claimed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 — — US claimed
CN-1585769-A A2b adenosine receptor antagonists CV THERAPEUTICS INC (US) 2005-02-23 — — CN claimed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 — — US claimed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 — — EP claimed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 — — US claimed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 — — WO claimed
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 — — US disclosed
CN-106866658-B 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2021-04-27 — — CN disclosed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 — — US disclosed
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 — — US disclosed
CN-101970424-A Indolylpyridone derivatives with checkpoint kinase 1 inhibitory activity VERNALIS R&D LTD 2011-02-09 — — CN disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 — — US disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 — — WO disclosed
CN-1890241-A A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-01-03 — — 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 (7 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 POLB 1152/4885TDP1 3394/4885L3MBTL1 2456/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 POLB 1115/4885TDP1 3302/4885L3MBTL1 2716/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B POLB 1630/4885TDP1 609/4885L3MBTL1 1632/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 POLB 1391/4885TDP1 834/4885L3MBTL1 1564/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 POLB 1391/4885TDP1 834/4885L3MBTL1 1564/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 POLB 1128/4885TDP1 918/4885L3MBTL1 1181/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 POLB 1391/4885TDP1 834/4885L3MBTL1 1564/4885

“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.