SCHEMBL12016987

SCHEMBL12016987

CC(=O)OCC(=O)Nc1cc2c(cc1F)CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HDAC3 O15379 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ SMYD3 Q9H7B4 2/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL154844 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HDAC3ALDH1A1MEN1LMNA
SCHEMBL155927 0.82 HDAC3 (0.44) HDAC3KMT2AHDAC1SMYD3CRBN
SCHEMBL13415556 0.79 SMN1; SMN2 (0.52) HPGDSMN1; SMN2HDAC3ALDH1A1HDAC1
SCHEMBL159194 0.79 HDAC3 (0.39) HDAC3HDAC1SMYD3CRBN
SCHEMBL154464 0.76 HDAC3 (0.45) HDAC3HDAC1SMYD3CRBN
SCHEMBL25567414 0.75 HDAC3 (0.41) SMN1; SMN2HDAC3HSD17B10LMNAKMT2A
SCHEMBL13449528 0.74 HDAC3 (0.43) HDAC3HDAC1SMYD3CRBN
SCHEMBL25565793 0.73 HDAC3 (0.38) HDAC3HDAC1SMYD3CRBN
SCHEMBL29268467 0.71 MAPT (0.64) USP2HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27805213 0.70 KDM4E (0.40) HDAC3KMT2AMAPTSMYD3CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 — — US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 — — US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 — — US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 — — US disclosed
US-8299069-B2 2-(2-oxoindoline-3-ylidene)methyl-5-(2-hydroxy-3-morpholin-4-yl-propyl)-6,7-dihydro-1H-pyrrol[3,2-C]pyridine-4(5H)-one compounds and use as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-10-30 — — US disclosed
US-8299069-B2 2-(2-oxoindoline-3-ylidene)methyl-5-(2-hydroxy-3-morpholin-4-yl-propyl)-6,7-dihydro-1H-pyrrol[3,2-C]pyridine-4(5H)-one compounds and use as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-10-30 — — US disclosed
EP-2179998-B1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL -PROPYL)-6,7-DIHYDRO -1H- PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2012-08-29 — — EP disclosed
US-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-06-24 — — US disclosed
US-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-06-24 — — US disclosed
EP-2179998-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL -PROPYL)-6,7-DIHYDRO -1H- PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-04-28 — — EP disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 — — US disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 — — US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 — — EP 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 (3 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-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS DMPK, MAP4K2, PLK2 USP2 2299/4885HPGD 2458/4885SMN1; SMN2 2740/4885
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 USP2 3205/4885HPGD 163/4885SMN1; SMN2 4172/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB USP2 2143/4885HPGD 3156/4885SMN1; SMN2 468/4885

“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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