SCHEMBL2779513

SCHEMBL2779513

NC[C@@H](O)CN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.75
▸ ANPEP P15144 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL2780188 1.00 USP2 (0.75) USP2ANPEPATML3MBTL1SMN1; SMN2
SCHEMBL457031 1.00 USP2 (0.75) USP2ANPEPATML3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL27963136 0.98 USP2 (0.72) USP2ANPEPATML3MBTL1SMN1; SMN2
Oxalic Acid SCHEMBL28812698 0.91 USP2 (0.62) USP2ANPEPATML3MBTL1HSD17B10
SCHEMBL709506 0.86 USP2 (1.00) USP2ANPEPATML3MBTL1SMN1; SMN2
SCHEMBL719936 0.84 MEN1 (0.52) USP2ATML3MBTL1SMN1; SMN2HSD17B10
SCHEMBL11186 0.80 USP2 (0.78) USP2ANPEPATML3MBTL1SMN1; SMN2
SCHEMBL4388837 0.80 USP2 (0.78) USP2ANPEPATML3MBTL1SMN1; SMN2
SCHEMBL4384137 0.80 USP2 (0.78) USP2ANPEPATML3MBTL1SMN1; SMN2
SCHEMBL488845 0.79 MEN1 (0.68) USP2ANPEPATMSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447503-B2 Pyridine carbamates and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-09-20 — — US disclosed
EP-3983074-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP 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-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-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
WO-2004045523-A2 COMBINATION ADMINISTRATION OF AN INDOLINONE WITH A CHEMOTHERAPEUTIC AGENT FOR CELL PROLIFERATION DISORDERS SUGEN, INC. (US) 2004-06-03 — — WO disclosed
US-20040102510-A1 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. 2004-05-27 — — US disclosed
EP-1370554-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2003-12-17 — — EP disclosed
US-20030229229-A1 Process for preparing indolinone derivatives PHARMACIA & UPJOHN COMPANY 2003-12-11 — — US disclosed
US-6653308-B2 Anticancer agents; antidiabetic agents; antiinflammatory agents SUGEN, INC. 2003-11-25 — — US disclosed
WO-2003070725-A2 PROCESS FOR PREPARING INDOLINONE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 — — WO disclosed
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds SUGEN, INC. 2003-07-10 — — US disclosed
US-20030092917-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as portein kinase inhibitors SUGEN, INC. 2003-05-15 — — US disclosed
WO-2003035009-A2 TREATMENT OF ACUTE MYELOID LEUKEMIA WITH INDOLINONE COMPOUNDS SUGEN, INC. (US) 2003-05-01 — — WO disclosed
WO-2002066463-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2002-08-29 — — 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 (6 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-11447503-B2 Pyridine carbamates and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN1 USP2 1850/4885ANPEP 2580/4885ATM 2562/4885
US-20040102510-A1 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors MAP3K15, MAP3K19, MAP3K9 USP2 3056/4885ANPEP 1106/4885ATM 460/4885
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 2143/4885ANPEP 1975/4885ATM 647/4885
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds FLT3, FLI1, MCL1 USP2 4376/4885ANPEP 822/4885ATM 108/4885
US-20030092917-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as portein kinase inhibitors PDPK1, MKNK1, PKN2 USP2 3652/4885ANPEP 1423/4885ATM 259/4885
US-20030229229-A1 Process for preparing indolinone derivatives CYP2B6, CYP2D6, CYP3A4 USP2 4012/4885ANPEP 2734/4885ATM 1621/4885

“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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