SCHEMBL853015

SCHEMBL853015

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(O)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
ALDH1A1 P00352 2/20 0.71
KMT2A Q03164 7/20 0.64
MEN1 O00255 5/20 0.64
EPHX2 P34913 1/20 0.64
MAPT P10636 2/20 0.63
POLB P06746 1/20 0.58
ACHE P22303 1/20 0.57
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
GAA P10253 1/20 0.53
TNFSF11 O14788 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
SCHEMBL23271159 0.86 LMNA (0.72) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL854322 0.84 SMN1; SMN2 (0.63) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL25754709 0.84 LMNA (1.00) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL2651807 0.83 ALDH1A1 (1.00) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL23270984 0.83 MEN1 (0.75) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL7651505 0.82 LMNA (0.78) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL3964546 0.81 LMNA (0.64) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL17007457 0.81 LMNA (0.76) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL30976592 0.81 LMNA (0.76) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL28509270 0.81 LMNA (0.76) LMNAALDH1A1KMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440084-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2022-12-21 EP disclosed
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 US disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 US disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 US disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 US disclosed
EP-3440084-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2019-02-13 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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 (5 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-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B LMNA 4644/4885ALDH1A1 2864/4885KMT2A 3266/4885
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB LMNA 2983/4885ALDH1A1 2810/4885KMT2A 2571/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 LMNA 3004/4885ALDH1A1 2992/4885KMT2A 448/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B LMNA 4644/4885ALDH1A1 2864/4885KMT2A 3266/4885
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS PI4KA, PI4KB, PIK3CA LMNA 1398/4885ALDH1A1 3257/4885KMT2A 2361/4885

“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.