SCHEMBL4510342

SCHEMBL4510342

COC(=O)c1nc[nH]c1C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2558861 0.81 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1RAB9AHPGD
SCHEMBL5252215 0.77 HSD17B10 (0.48) NPSR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2146034 0.76 NPSR1 (0.46) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10552507 0.76 NPSR1 (0.46) NPSR1SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL1081091 0.76 LMNA (0.54) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5433655 0.76 NPSR1 (0.46) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL24596263 0.74 NPSR1 (0.45) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL31087137 0.74 NPSR1 (0.45) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1081092 0.73 KDM4E (0.54) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16452385 0.72 CYP2C19 (0.38) NPSR1SMN1; SMN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119452084-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2025-02-14 CN disclosed
CN-119317632-A Oligonucleotide compositions and methods relating thereto 波涛生命科学有限公司 2025-01-14 CN disclosed
CN-111278827-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2022-12-23 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 US disclosed
US-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 US disclosed
CN-111278827-A Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2020-06-12 CN disclosed
EP-3658563-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF Isocure Biosciences Inc. (US) 2020-06-03 EP disclosed
EP-3660018-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-06-03 EP disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 US disclosed
US-20200140444-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-05-07 US disclosed
US-20200140444-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-05-07 US disclosed
WO-2019023165-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2019-01-31 WO disclosed
WO-2019023165-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2019-01-31 WO disclosed
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed
EP-1699779-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061484-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-07-07 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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM NPSR1 3747/4885SMN1; SMN2 4699/4885KDM4E 2501/4885
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof OPRD1, QDPR, RECQL NPSR1 231/4885SMN1; SMN2 1102/4885KDM4E 1439/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM NPSR1 3747/4885SMN1; SMN2 4699/4885KDM4E 2501/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 NPSR1 3650/4885SMN1; SMN2 4362/4885KDM4E 1032/4885
US-20200140444-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A NPSR1 4861/4885SMN1; SMN2 2494/4885KDM4E 593/4885

“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.