SCHEMBL16100601

SCHEMBL16100601

C=CC(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.45
TGM2 P21980 4/20 0.42
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
P4HB P07237 1/20 0.36
MAPK3 P27361 2/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K1 Q02750 1/20 0.35
BTK Q06187 2/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL16335723 0.88 BTK (0.42) LIPETGM2PTPN1PTPN11BTK
SCHEMBL29782426 0.88 BTK (0.42) LIPETGM2PTPN1PTPN11BTK
SCHEMBL30935246 0.87 LIPE (0.38) LIPETGM2PTPN1PTPN11BTK
SCHEMBL29895467 0.83 LIPE (0.49) LIPEMAPK1
SCHEMBL1797092 0.83 LIPE (0.49) LIPEMAPK1
SCHEMBL1058987 0.82 LIPE (0.48) LIPEP4HB
SCHEMBL29919404 0.78 LIPE (0.46) LIPEMAPK1
SCHEMBL29269315 0.78 CETP (0.49) LIPE
SCHEMBL16100825 0.78 LIPE (0.42) LIPEBTK
SCHEMBL16100824 0.78 LIPE (0.42) LIPEBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
EP-3545956-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-12-16 EP disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
US-20190329187-A1 AFFINITY POLYMERS AND METHODS FOR REDUCING PURINE LEVELS IN COMPLEX MIXTURES NITTO DENKO CORPORATION (JP) 2019-10-31 US disclosed
US-20190329187-A1 AFFINITY POLYMERS AND METHODS FOR REDUCING PURINE LEVELS IN COMPLEX MIXTURES NITTO DENKO CORPORATION (JP) 2019-10-31 US disclosed
EP-3545956-A1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS Arrien Pharmaceuticals LLC (US) 2019-10-02 EP disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
EP-2986300-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H-PYRROLO [2-,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2019-06-26 EP disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 EP disclosed
US-20160046627-A1 ITK and JAK Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-02-18 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-9206188-B2 Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-12-08 US disclosed
US-9206188-B2 Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-12-08 US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 US disclosed
WO-2014172513-A2 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H-PYRROLO [2-,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 WO disclosed
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 US disclosed
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (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-20160046627-A1 ITK and JAK Kinase Inhibitors JAK3, ITK, JAK2 LIPE 3536/4885TGM2 2329/4885PTPN1 629/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 LIPE 3450/4885TGM2 1258/4885PTPN1 1477/4885
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LIPE 4591/4885TGM2 2583/4885PTPN1 112/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LIPE 4591/4885TGM2 2583/4885PTPN1 112/4885
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors JAK3, TYK2, JAK2 LIPE 4032/4885TGM2 3079/4885PTPN1 237/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LIPE 4591/4885TGM2 2583/4885PTPN1 112/4885

“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.