Sugi Predict

Sugi Predict / Compounds / SCHEMBL949235

SCHEMBL949235

SCHEMBL949235

COC(=O)c1cnc(O)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ XDH P47989 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ FUT7 Q11130 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4036645 0.86 KDM4E (0.41) MAPK1ATMCA12CA1CA2
SCHEMBL1092159 0.81 CYP2C19 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2126716 0.81 MAPK1 (0.46) MAPK1ATMCA12CA1CA2
SCHEMBL30673218 0.81 MAPK1 (0.46) MAPK1ATMCA12CA1CA2
SCHEMBL836245 0.81 PDGFRB (0.51) MAPK1ATMCA12CA1CA2
SCHEMBL31681411 0.80 ATM (0.53) MAPK1ATMCA12CA1CA2
SCHEMBL29220843 0.80 KDM4E (0.50) MAPK1ATMCA12CA1CA2
SCHEMBL198706 0.79 MAPK1 (0.47) MAPK1ATMCA12CA1CA2
SCHEMBL31306618 0.79 MAPT (0.47) MAPK1ATMCA12CA1CA2
SCHEMBL197929 0.79 MAPK1 (0.51) MAPK1ATMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 — — CN claimed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 — — CN claimed
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 — — CN disclosed
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 — — CN disclosed
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-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 — — US disclosed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 — — CN disclosed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 — — CN disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 — — US disclosed
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 — — CN disclosed
WO-2012052444-A1 PROCESS FOR THE PREPARATION OF NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 — — WO disclosed
WO-2012052444-A1 PROCESS FOR THE PREPARATION OF NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 — — WO disclosed
US-20120101282-A1 PROCESS FOR THE PREPARATION OF NICOTINAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-04-26 — — US disclosed
EP-2294065-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY Vernalis (R&D) Ltd. (GB) 2011-03-16 — — EP 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
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B MAPK1 50/4885ATM 218/4885CA12 4752/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B MAPK1 50/4885ATM 218/4885CA12 4752/4885
US-20120101282-A1 PROCESS FOR THE PREPARATION OF NICOTINAMIDE DERIVATIVES CNR1, CNR2, NAMPT MAPK1 288/4885ATM 2976/4885CA12 4100/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B MAPK1 50/4885ATM 218/4885CA12 4752/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 MAPK1 191/4885ATM 154/4885CA12 3996/4885

“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.