SCHEMBL14958536

SCHEMBL14958536

O=C(Nc1cnn[nH]1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
ROCK2 O75116 1/20 0.60
ROCK1 Q13464 1/20 0.60
PIM1 P11309 1/20 0.57
PIM3 Q86V86 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
TDP1 Q9NUW8 1/20 0.55
KCNK3 O14649 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
DYRK1A Q13627 1/20 0.53
NAMPT P43490 1/20 0.53
SMN1; SMN2 Q16637 4/20 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
SCHEMBL150787 0.84 BCAT2 (0.53) RAB9ANPC1KCNK3MEN1KMT2A
SCHEMBL28268366 0.78 LMNA (0.61) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL1571386 0.77 LMNA (1.00) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL153149 0.76 LMNA (0.58) LMNAHIF1AROCK2ROCK1PIM1
Nicotinanilide SCHEMBL352439 0.76 LMNA (0.83) LMNAHIF1AROCK2ROCK1PIM1
Nicotinanilide SCHEMBL29067673 0.76 LMNA (0.83) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL14880208 0.76 ROCK2 (1.00) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL11090153 0.75 NAMPT (0.78) LMNAHIF1AROCK2ROCK1RAB9A
Nicotinanilide SCHEMBL8155304 0.74 LMNA (0.81) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL19520187 0.74 LMNA (0.81) LMNAHIF1AROCK2ROCK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841427-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-03-04 EP claimed
WO-2013072528-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-05-23 WO claimed
US-9512113-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxylic thioamides and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-9398768-B2 Substituted N-(tetrazol-5-yl)- and N-(triazol-5-yl)pyridin-3-yl-carboxamide compounds and their use as herbicides BASF SE (DE) 2016-07-26 US disclosed
US-9398768-B2 Substituted N-(tetrazol-5-yl)- and N-(triazol-5-yl)pyridin-3-yl-carboxamide compounds and their use as herbicides BASF SE (DE) 2016-07-26 US disclosed
US-9398768-B2 Substituted N-(tetrazol-5-yl)- and N-(triazol-5-yl)pyridin-3-yl-carboxamide compounds and their use as herbicides BASF SE (DE) 2016-07-26 US disclosed
US-9370184-B2 6-pyridone-2-carbamoyl-azoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2016-06-21 US disclosed
EP-2844650-B1 6-PYRIDON-2-CARBAMOYL-AZOLES AND THEIR APPLICATION AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2016-03-23 EP disclosed
EP-2855437-B1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID ATHIOAMIDES AND USE OF SAME AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2016-03-23 EP disclosed
US-20150175588-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-06-25 US disclosed
US-20150119249-A1 Substituted N-(tetrazol-5-yl)- and N-(triazol-5-yl)pyridin-3-yl-carboxamide compounds and their use as herbicides BASF SE (DE) 2015-04-30 US disclosed
EP-2841427-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-03-04 EP disclosed
EP-2841427-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-03-04 EP disclosed
WO-2014184017-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2014-11-20 WO disclosed
WO-2014184017-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2014-11-20 WO disclosed
WO-2013174843-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2013-11-28 WO disclosed
WO-2013164333-A1 6-PYRIDONE-2-CARBAMOYL-AZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2013-11-07 WO disclosed
WO-2013072528-A3 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-07-04 WO disclosed
WO-2013072528-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-05-23 WO disclosed
WO-2013072528-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-05-23 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 (2 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-20150175588-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXYLIC THIOAMIDES AND USE THEREOF AS HERBICIDES NAT1, TST, AADAC LMNA 3507/4885HIF1A 2926/4885ROCK2 3433/4885
US-20150119249-A1 Substituted N-(tetrazol-5-yl)- and N-(triazol-5-yl)pyridin-3-yl-carboxamide compounds and their use as herbicides NTRK3, CBR3, PDXK LMNA 2815/4885HIF1A 3676/4885ROCK2 2528/4885

“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.