SCHEMBL2595657

SCHEMBL2595657

Cc1ccc(S(=O)(=O)NCCc2cccc(Br)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
CYP19A1 P11511 2/20 0.58
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.55
AKR1C3 P42330 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CA12 O43570 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.52
CA9 Q16790 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL14751071 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL2001480 0.87 ALDH1A1 (0.61) ALDH1A1EGFRERBB2AKR1C3TAAR1
SCHEMBL30822628 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL30822635 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL17974009 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL29019309 0.82 ALDH1A1 (0.84) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL31418774 0.82 EGFR (0.54) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL625181 0.82 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ATAAR1CA12
SCHEMBL3394469 0.81 L3MBTL1 (0.68) ALDH1A1MEN1KMT2ACYP19A1AKR1C3
SCHEMBL17974011 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567453-A Benzazepine analogs as inhibitors of bruton's tyrosine kinase 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
EP-3609886-B1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2024-02-07 EP disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
EP-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 EP disclosed
CN-110621670-B Benzazepine analogs as inhibitors of bruton's tyrosine kinase 比奥根MA公司 2023-09-15 CN disclosed
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 US disclosed
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 US disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
WO-2011143145-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143145-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143155-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143155-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US disclosed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN ALDH1A1 4265/4885MEN1 4232/4885KMT2A 1470/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ALDH1A1 4265/4885MEN1 4232/4885KMT2A 1470/4885
US-20130059838-A1 SUBSTITUTED N-HETEROARYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HNMT, HRH4 ALDH1A1 1264/4885MEN1 2830/4885KMT2A 311/4885
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN ALDH1A1 3214/4885MEN1 2255/4885KMT2A 1735/4885
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ALDH1A1 3214/4885MEN1 2255/4885KMT2A 1735/4885
US-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 ALDH1A1 55/4885MEN1 2532/4885KMT2A 1692/4885

“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.