SCHEMBL7592088

SCHEMBL7592088

O=S(=O)(Cl)c1cccn1-c1nccc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 2/20 0.48
▸ RPS6KA4 O75676 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ PANK3 Q9H999 1/20 0.30

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
SCHEMBL594083 0.79 MEN1 (0.43) RPS6KA5RPS6KA4ALDH1A1KDM4EMAPT
SCHEMBL594070 0.76 MAPT (0.41) RPS6KA5RPS6KA4ALDH1A1MAPT
SCHEMBL7591286 0.76 RPS6KA5 (0.48) RPS6KA5ALDH1A1MAPT
SCHEMBL7595027 0.74 MAPT (0.41) RPS6KA5RPS6KA4ALDH1A1MAPTMEN1
SCHEMBL7591325 0.72 HPGD (0.47) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL7593026 0.68 ALDH1A1 (0.60) RPS6KA5RPS6KA4ALDH1A1KDM4EMAPT
SCHEMBL3704906 0.64 MEN1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4630669 0.62 PTGS2 (0.40) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL17601535 0.62 RPS6KA5 (0.46) RPS6KA5RPS6KA4ALDH1A1MAPTL3MBTL1
SCHEMBL5192586 0.60 CD38 (0.54) RPS6KA5RPS6KA4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 — — US disclosed
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 — — US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 — — US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 — — US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 — — US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 — — US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 — — US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 — — US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-05-17 — — US 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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 RPS6KA5 300/4885RPS6KA4 235/4885ALDH1A1 1387/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 RPS6KA5 338/4885RPS6KA4 330/4885ALDH1A1 1240/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 RPS6KA5 300/4885RPS6KA4 235/4885ALDH1A1 1387/4885

“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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