SCHEMBL517689

SCHEMBL517689

Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3Br)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HTR6 P50406 12/20 0.49
▸ DRD2 P14416 4/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ HTR7 P34969 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ UBE2N P61088 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ CYP19A1 P11511 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
SCHEMBL20190392 0.91 HTR6 (0.54) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL6039554 0.83 HTR6 (0.58) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL18662673 0.82 ABL1 (0.43) L3MBTL1HTR6HTR2AABL1BCR
SCHEMBL29395224 0.82 ABL1 (0.43) L3MBTL1HTR6HTR2AABL1BCR
SCHEMBL29429815 0.80 HTR6 (0.56) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL6039811 0.80 HTR6 (0.56) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL6039808 0.78 HTR6 (0.55) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL28313363 0.78 HTR6 (0.53) L3MBTL1HTR6DRD2HTR2AHTR7
SCHEMBL29460860 0.75 KDM4E (0.68) L3MBTL1HTR6KDM4EUBE2NCA1
SCHEMBL517434 0.75 KDM4E (0.68) L3MBTL1HTR6KDM4EUBE2NCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 — — EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — 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 (1 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 L3MBTL1 4627/4885HTR6 3764/4885DRD2 4684/4885

“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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