SCHEMBL14270218

SCHEMBL14270218

CNS(=O)(=O)c1ccc(CN=[N+]=[N-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA3 P07451 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA5A P35218 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA13 Q8N1Q1 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA5B Q9Y2D0 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL28685922 0.87 SMN1; SMN2 (0.40) SMN1; SMN2GAACA2CA9CA12
Benzyl Bromide SCHEMBL28275376 0.84 NR3C2 (0.38) SMN1; SMN2GAACA2CA9CA12
SCHEMBL14270120 0.81 GRIN2B (0.43) CA2CA9HDAC3HDAC1HDAC2
SCHEMBL29230357 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GAACA2CA9CA12
SCHEMBL1751926 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GAACA2CA9CA12
SCHEMBL14270205 0.78 ALDH1A1 (0.51) SMN1; SMN2GAACA2CA9CA12
SCHEMBL13692907 0.77 CA2 (0.55) SMN1; SMN2CA2CA9CA12CA1
SCHEMBL13936311 0.77 SMN1; SMN2 (0.52) SMN1; SMN2GAACA2CA9CA12
SCHEMBL19075272 0.77 LMNA (0.42) SMN1; SMN2CA2CA9CA12CA1
SCHEMBL19553599 0.77 CA12 (0.61) SMN1; SMN2GAACA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
CN-109311882-B Adenine derivatives as protein kinase inhibitors BCI制药公司 2022-02-11 — — CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 — — EP disclosed
CN-109311882-A adenine derivatives as protein kinase inhibitors BCI制药公司 2019-02-05 — — CN disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — WO disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — 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 (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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 SMN1; SMN2 2198/4885GAA 4102/4885CA2 959/4885
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885GAA 2023/4885CA2 2606/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 SMN1; SMN2 2198/4885GAA 4102/4885CA2 959/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885GAA 2023/4885CA2 2606/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC SMN1; SMN2 3139/4885GAA 920/4885CA2 3768/4885

“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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