SCHEMBL16793671

SCHEMBL16793671

CC(=O)c1ccc(CNC(=O)O)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 5/20 0.36
PRSS1 P07477 5/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SETDB1 Q15047 1/20 0.34
P2RX7 Q99572 2/20 0.33
NAMPT P43490 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18179499 0.81 KDM4A (0.42) KDM4EL3MBTL1CYP1A2NAMPTNPC1
SCHEMBL13269951 0.78 KLKB1 (0.45) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL17442649 0.78 KLKB1 (0.57) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL16794227 0.78 KLKB1 (0.40) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL16794132 0.77 RECQL (0.44) ALDH1A1HPGDCYP1A2CYP2C19NPC1
SCHEMBL16794134 0.77 RECQL (0.44) ALDH1A1HPGDCYP1A2CYP2C19NPC1
SCHEMBL17523558 0.72 NPSR1 (0.49) KLKB1KDM4EF2PRSS1PRSS2
SCHEMBL3580429 0.70 NOS3 (0.43) KDM4EL3MBTL1ALDH1A1CYP1A2P2RX7
SCHEMBL23279842 0.70 F2 (0.53) KLKB1KDM4EF2PRSS1PRSS2
SCHEMBL13933599 0.69 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 US disclosed
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase BIOGEN MA INC. (US) 2018-09-25 US disclosed
EP-3080103-B9 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-09-19 EP disclosed
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
EP-3080103-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 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 KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KLKB1 2674/4885KDM4E 1273/4885L3MBTL1 1133/4885

“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.