SCHEMBL13655637

SCHEMBL13655637

[N-]=[N+]=NCC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ FKBP1A P62942 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27165476 0.86 ALDH1A1 (0.38) TSHRALOX15HSD17B10SMN1; SMN2POLB
SCHEMBL13655626 0.82 ATM (0.45) L3MBTL1MMP1MMP3SMN1; SMN2GAA
SCHEMBL28395559 0.81 ATM (0.43) L3MBTL1HSD17B10MMP1MMP3SMN1; SMN2
SCHEMBL17848825 0.79 MEN1 (0.33) HSD17B10GAALMNAALDH1A1MEN1
SCHEMBL29969222 0.78 CA2 (0.39) POLBGAACA12CA1CA9
SCHEMBL18803167 0.78 GAA (0.42) L3MBTL1SMN1; SMN2POLBGAAKMT2A
SCHEMBL15832603 0.75 ALDH1A1 (0.53) SMN1; SMN2GAALMNAGLARAB9A
SCHEMBL17848849 0.74 JAK2 (0.33) —
SCHEMBL2262931 0.73 L3MBTL1 (0.61) L3MBTL1TSHRALOX15HSD17B10MMP1
SCHEMBL28129983 0.73 L3MBTL1 (0.37) L3MBTL1TSHRALOX15HSD17B10MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 — — CN disclosed
EP-3313840-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-24 — — EP disclosed
US-10294229-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-21 — — US disclosed
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
EP-3313840-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS Bristol-Myers Squibb Company (US) 2018-05-02 — — EP disclosed
WO-2016210034-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 — — WO disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US 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-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-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 L3MBTL1 3302/4885TSHR 762/4885ALOX15 130/4885
US-10294229-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 L3MBTL1 3116/4885TSHR 2095/4885ALOX15 1439/4885
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 L3MBTL1 1918/4885TSHR 2342/4885ALOX15 3628/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC L3MBTL1 3458/4885TSHR 3269/4885ALOX15 130/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 L3MBTL1 1918/4885TSHR 2342/4885ALOX15 3628/4885
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 L3MBTL1 3116/4885TSHR 2095/4885ALOX15 1439/4885

“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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