SCHEMBL2350397

SCHEMBL2350397

COc1cccc(F)c1C(=O)c1cc(Cl)ccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RORC P51449 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KCNMA1 Q12791 2/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
RORB Q92753 1/20 0.40
KRAS P01116 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL2509357 0.86 GAA (0.43) KMT2AALDH1A1KCNMA1RAB9ANPC1
SCHEMBL2704988 0.86 RECQL (0.50) POLBRORCKMT2AKDM4EALDH1A1
SCHEMBL19088631 0.86 POLB (0.47) POLBRORCKMT2AKDM4EALDH1A1
SCHEMBL2705242 0.79 SMN1; SMN2 (0.59) POLBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3586573 0.79 KDM4E (0.49) RORCKDM4EALDH1A1KCNMA1HIF1A
SCHEMBL27877492 0.77 CA12 (0.59) POLBRORCKMT2ARAB9ANPC1
SCHEMBL10995760 0.75 KCNMA1 (0.51) KMT2AALDH1A1KCNMA1RAB9ANPC1
SCHEMBL15473715 0.75 POLB (0.40) POLBRORCKDM4EALDH1A1RAB9A
SCHEMBL18713981 0.74 KMT2A (0.58) POLBRORCKMT2AKDM4EALDH1A1
SCHEMBL3218274 0.72 CSF1R (0.43) POLBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. 2017-07-06 US disclosed
US-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. 2017-07-06 US disclosed
US-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. 2017-07-06 US disclosed
US-20140357622-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-04 US disclosed
US-20140357622-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-04 US disclosed
US-20140357622-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-04 US disclosed
US-8653064-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-D][2]benzazepin-2-yl]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-8653064-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-D][2]benzazepin-2-yl]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-8653064-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-D][2]benzazepin-2-yl]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
EP-2536279-A1 CRYSTALLINE FORMS OF SODIUM 4-{[9-CHLORO-7-(2-FLUORO-6-METHOXYPHENYL)-5H -PYRIMIDO[5,4-D][2]BENZAZEPIN-2YL]AMINO}-2-METHOXYBENZOATE Millennium Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-20110245234-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245234-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245234-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
WO-2011103089-A1 CRYSTALLINE FORMS OF SODIUM 4-{[9-CHLORO-7-(2-FLUORO-6--METHOXYPHENYL)-5H -PYRIMIDO[5,4-D][2]BENZAZEPIN-2YL]AMINO}-2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
WO-2011103089-A1 CRYSTALLINE FORMS OF SODIUM 4-{[9-CHLORO-7-(2-FLUORO-6--METHOXYPHENYL)-5H -PYRIMIDO[5,4-D][2]BENZAZEPIN-2YL]AMINO}-2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-25 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 (4 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-20110245234-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE AURKB, AURKA, AURKC POLB 1728/4885RORC 1924/4885KMT2A 852/4885
US-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE AURKB, AURKA, AURKC POLB 1728/4885RORC 1924/4885KMT2A 852/4885
US-20140357622-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE AURKB, AURKA, AURKC POLB 1728/4885RORC 1924/4885KMT2A 852/4885
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate AURKA, AURKB, AURKC POLB 1260/4885RORC 1607/4885KMT2A 1052/4885

“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.